----- GAMESS execution script 'rungms' ----- This job is running on host PaulDirac under operating system Linux at Thu Jun 20 13:27:11 EDT 2013 Available scratch disk space (Kbyte units) at beginning of the job is Filesystem 1K-blocks Used Available Use% Mounted on /dev/sdb1 709627400 192661220 480337580 29% /mnt/disk2 GAMESS temporary binary files will be written to /mnt/disk2/nikita/scr GAMESS supplementary output files will be written to /mnt/disk2/nikita/scr Copying input file exam07.inp to your run's scratch directory... cp tests/standard/exam07.inp /mnt/disk2/nikita/scr/exam07.F05 unset echo /mnt/disk2/nikita/gamess/ddikick.x /mnt/disk2/nikita/gamess/gamess.00.x exam07 -ddi 1 1 PaulDirac -scr /mnt/disk2/nikita/scr Distributed Data Interface kickoff program. Initiating 1 compute processes on 1 nodes to run the following command: /mnt/disk2/nikita/gamess/gamess.00.x exam07 ****************************************************** * GAMESS VERSION = 1 MAY 2013 (R1) * * FROM IOWA STATE UNIVERSITY * * M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, S.T.ELBERT, * * M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA, * * K.A.NGUYEN, S.J.SU, T.L.WINDUS, * * TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY * * J.COMPUT.CHEM. 14, 1347-1363(1993) * **************** 64 BIT INTEL VERSION **************** SINCE 1993, STUDENTS AND POSTDOCS WORKING AT IOWA STATE UNIVERSITY AND ALSO IN THEIR VARIOUS JOBS AFTER LEAVING ISU HAVE MADE IMPORTANT CONTRIBUTIONS TO THE CODE: IVANA ADAMOVIC, CHRISTINE AIKENS, YURI ALEXEEV, POOJA ARORA, ANDREY ASADCHEV, ROB BELL, PRADIPTA BANDYOPADHYAY, JONATHAN BENTZ, BRETT BODE, GALINA CHABAN, WEI CHEN, CHEOL HO CHOI, PAUL DAY, ALBERT DEFUSCO, TIM DUDLEY, DMITRI FEDOROV, GRAHAM FLETCHER, MARK FREITAG, KURT GLAESEMANN, DAN KEMP, GRANT MERRILL, NORIYUKI MINEZAWA, JONATHAN MULLIN, TAKESHI NAGATA, SEAN NEDD, HEATHER NETZLOFF, BOSILJKA NJEGIC, RYAN OLSON, MIKE PAK, JIM SHOEMAKER, LYUDMILA SLIPCHENKO, SAROM SOK, JIE SONG, TETSUYA TAKETSUGU, SIMON WEBB, SOOHAENG YOO, FEDERICO ZAHARIEV ADDITIONAL CODE HAS BEEN PROVIDED BY COLLABORATORS IN OTHER GROUPS: IOWA STATE UNIVERSITY: JOE IVANIC, LAIMUTIS BYTAUTAS, KLAUS RUEDENBERG UNIVERSITY OF TOKYO: KIMIHIKO HIRAO, TAKAHITO NAKAJIMA, TAKAO TSUNEDA, MUNEAKI KAMIYA, SUSUMU YANAGISAWA, KIYOSHI YAGI, MAHITO CHIBA, SEIKEN TOKURA, NAOAKI KAWAKAMI UNIVERSITY OF AARHUS: FRANK JENSEN UNIVERSITY OF IOWA: VISVALDAS KAIRYS, HUI LI NATIONAL INST. OF STANDARDS AND TECHNOLOGY: WALT STEVENS, DAVID GARMER UNIVERSITY OF PISA: BENEDETTA MENNUCCI, JACOPO TOMASI UNIVERSITY OF MEMPHIS: HENRY KURTZ, PRAKASHAN KORAMBATH UNIVERSITY OF ALBERTA: TOBY ZENG, MARIUSZ KLOBUKOWSKI UNIVERSITY OF NEW ENGLAND: MARK SPACKMAN MIE UNIVERSITY: HIROAKI UMEDA MICHIGAN STATE UNIVERSITY: KAROL KOWALSKI, MARTA WLOCH, JEFFREY GOUR, JESSE LUTZ, WEI LI, PIOTR PIECUCH UNIVERSITY OF SILESIA: MONIKA MUSIAL, STANISLAW KUCHARSKI FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX: OLIVIER QUINET, BENOIT CHAMPAGNE UNIVERSITY OF CALIFORNIA - SANTA BARBARA: BERNARD KIRTMAN INSTITUTE FOR MOLECULAR SCIENCE: KAZUYA ISHIMURA, MICHIO KATOUDA, AND SHIGERU NAGASE UNIVERSITY OF NOTRE DAME: DAN CHIPMAN KYUSHU UNIVERSITY: HARUYUKI NAKANO, FENG LONG GU, JACEK KORCHOWIEC, MARCIN MAKOWSKI, AND YURIKO AOKI, HIROTOSHI MORI AND EISAKU MIYOSHI PENNSYLVANIA STATE UNIVERSITY: TZVETELIN IORDANOV, CHET SWALINA, JONATHAN SKONE, SHARON HAMMES-SCHIFFER WASEDA UNIVERSITY: MASATO KOBAYASHI, TOMOKO AKAMA, TSUGUKI TOUMA, TAKESHI YOSHIKAWA, YASUHIRO IKABATA, HIROMI NAKAI NANJING UNIVERSITY: SHUHUA LI UNIVERSITY OF NEBRASKA: PEIFENG SU, DEJUN SI, NANDUN THELLAMUREGE, YALI WANG, HUI LI UNIVERSITY OF ZURICH: ROBERTO PEVERATI, KIM BALDRIDGE N. COPERNICUS UNIVERSITY AND JACKSON STATE UNIVERSITY: MARIA BARYSZ EXECUTION OF GAMESS BEGUN Thu Jun 20 13:27:11 2013 ECHO OF THE FIRST FEW INPUT CARDS - INPUT CARD>! EXAM07. INPUT CARD>! 1-A' HPO RHF calculation using GAMESS. INPUT CARD>! This job tests the HONDO integral and gradient package, INPUT CARD>! due to the d function on phosphorus. The input also INPUT CARD>! illustrates the use of a more flexible basis set than INPUT CARD>! the methylene examples. INPUT CARD>! Although HUCKEL would be better, HCORE is tested. INPUT CARD>! INPUT CARD>! The initial energy is -397.591203190, INPUT CARD>! the FINAL E= -414.0945320827 after 18 iterations, INPUT CARD>! The dipole moment is 2.535169. INPUT CARD>! The RMS gradient is 0.023723712. INPUT CARD>! INPUT CARD> $CONTRL SCFTYP=RHF RUNTYP=GRADIENT $END INPUT CARD> $SYSTEM TIMLIM=1 $END INPUT CARD> $GUESS GUESS=HCORE $END INPUT CARD> $DATA INPUT CARD>HP=O ... 3-21+G* RHF calculation at STO-2G* geometry INPUT CARD>Cs INPUT CARD> INPUT CARD>Phosphorus 15.0 INPUT CARD> N21 3 INPUT CARD> L 1 INPUT CARD> 1 0.039 1.0 1.0 INPUT CARD> D 1 INPUT CARD> 1 0.55 1.0 INPUT CARD> INPUT CARD>Oxygen 8.0 1.439 INPUT CARD> N21 3 INPUT CARD> INPUT CARD>Hydrogen 1.0 -0.3527854 1.36412 INPUT CARD> N21 3 INPUT CARD> INPUT CARD> $END 1000000 WORDS OF MEMORY AVAILABLE RUN TITLE --------- HP=O ... 3-21+G* RHF calculation at STO-2G* geometry THE POINT GROUP OF THE MOLECULE IS CS THE ORDER OF THE PRINCIPAL AXIS IS 0 ATOM ATOMIC COORDINATES (BOHR) CHARGE X Y Z PHOSPHORUS 15.0 0.0000000000 0.0000000000 0.0000000000 OXYGEN 8.0 2.7193156963 0.0000000000 0.0000000000 HYDROGEN 1.0 -0.6666677385 2.5778130144 0.0000000000 INTERNUCLEAR DISTANCES (ANGS.) ------------------------------ 1 PHOSUS 2 OXYG 3 HYDR 1 PHOSUS 0.0000000 1.4390000 * 1.4090000 * 2 OXYG 1.4390000 * 0.0000000 2.2519588 * 3 HYDR 1.4090000 * 2.2519588 * 0.0000000 * ... LESS THAN 3.000 ATOMIC BASIS SET ---------------- THE CONTRACTED PRIMITIVE FUNCTIONS HAVE BEEN UNNORMALIZED THE CONTRACTED BASIS FUNCTIONS ARE NOW NORMALIZED TO UNITY SHELL TYPE PRIMITIVE EXPONENT CONTRACTION COEFFICIENT(S) PHOSPHORUS 1 S 1 1054.9000000 0.065540713549 1 S 2 159.1950000 0.384036079392 1 S 3 34.5304000 0.674541139449 2 L 4 44.2866000 -0.102130053458 0.110851002536 2 L 5 10.1019000 0.081592242708 0.456495010442 2 L 6 2.7399700 0.969788507613 0.606936013883 3 L 7 1.2186500 -0.371496021877 0.091582310217 3 L 8 0.3955460 1.270993496131 0.934924104303 4 L 9 0.1228110 1.000000000000 1.000000000000 5 L 10 0.0390000 1.000000000000 1.000000000000 6 D 11 0.5500000 1.000000000000 OXYGEN 7 S 12 322.0370000 0.059239393389 7 S 13 48.4308000 0.351499960776 7 S 14 10.4206000 0.707657921031 8 L 15 7.4029400 -0.404453583190 0.244586106967 8 L 16 1.5762000 1.221561761397 0.853955373466 9 L 17 0.3736840 1.000000000000 1.000000000000 HYDROGEN 10 S 18 5.4471780 0.156284978695 10 S 19 0.8245472 0.904690876670 11 S 20 0.1831916 1.000000000000 TOTAL NUMBER OF BASIS SET SHELLS = 11 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS = 34 NUMBER OF ELECTRONS = 24 CHARGE OF MOLECULE = 0 SPIN MULTIPLICITY = 1 NUMBER OF OCCUPIED ORBITALS (ALPHA) = 12 NUMBER OF OCCUPIED ORBITALS (BETA ) = 12 TOTAL NUMBER OF ATOMS = 3 THE NUCLEAR REPULSION ENERGY IS 51.6421723661 $CONTRL OPTIONS --------------- SCFTYP=RHF RUNTYP=GRADIENT EXETYP=RUN MPLEVL= 0 CITYP =NONE CCTYP =NONE VBTYP =NONE DFTTYP=NONE TDDFT =NONE MULT = 1 ICHARG= 0 NZVAR = 0 COORD =UNIQUE PP =NONE RELWFN=NONE LOCAL =NONE NUMGRD= F ISPHER= -1 NOSYM = 0 MAXIT = 30 UNITS =ANGS PLTORB= F MOLPLT= F AIMPAC= F FRIEND= NPRINT= 7 IREST = 0 GEOM =INPUT NORMF = 0 NORMP = 0 ITOL = 20 ICUT = 9 INTTYP=BEST GRDTYP=BEST QMTTOL= 1.0E-06 $SYSTEM OPTIONS --------------- REPLICATED MEMORY= 1000000 WORDS (ON EVERY NODE). DISTRIBUTED MEMDDI= 0 MILLION WORDS IN AGGREGATE, MEMDDI DISTRIBUTED OVER 1 PROCESSORS IS 0 WORDS/PROCESSOR. TOTAL MEMORY REQUESTED ON EACH PROCESSOR= 1000000 WORDS. TIMLIM= 1.00 MINUTES, OR 0.0 DAYS. PARALL= F BALTYP= DLB KDIAG= 0 COREFL= F MXSEQ2= 300 MXSEQ3= 150 ---------------- PROPERTIES INPUT ---------------- MOMENTS FIELD POTENTIAL DENSITY IEMOM = 1 IEFLD = 0 IEPOT = 0 IEDEN = 0 WHERE =COMASS WHERE =NUCLEI WHERE =NUCLEI WHERE =NUCLEI OUTPUT=BOTH OUTPUT=BOTH OUTPUT=BOTH OUTPUT=BOTH IEMINT= 0 IEFINT= 0 IEDINT= 0 MORB = 0 EXTRAPOLATION IN EFFECT SOSCF IN EFFECT ORBITAL PRINTING OPTION: NPREO= 1 34 2 1 ------------------------------- INTEGRAL TRANSFORMATION OPTIONS ------------------------------- NWORD = 0 CUTOFF = 1.0E-09 MPTRAN = 0 DIRTRF = F AOINTS =DUP ---------------------- INTEGRAL INPUT OPTIONS ---------------------- NOPK = 1 NORDER= 0 SCHWRZ= F ------------------------------------------ THE POINT GROUP IS CS , NAXIS= 0, ORDER= 2 ------------------------------------------ DIMENSIONS OF THE SYMMETRY SUBSPACES ARE A' = 26 A'' = 8 ..... DONE SETTING UP THE RUN ..... STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.0 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.0 SECONDS, CPU UTILIZATION IS 0.00% -------------------------------- SINGLE POINT ENERGY AND GRADIENT -------------------------------- ******************** 1 ELECTRON INTEGRALS ******************** ...... END OF ONE-ELECTRON INTEGRALS ...... STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.0 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.0 SECONDS, CPU UTILIZATION IS 0.00% ------------- GUESS OPTIONS ------------- GUESS =HCORE NORB = 0 NORDER= 0 MIX = F PRTMO = F PUNMO = F TOLZ = 1.0E-08 TOLE = 1.0E-05 SYMDEN= F PURIFY= F INITIAL GUESS ORBITALS GENERATED BY HCORE ROUTINE. SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. BOTH SET(S). 12 ORBITALS ARE OCCUPIED ( 6 CORE ORBITALS). 7=A' 8=A' 9=A' 10=A'' 11=A' 12=A' 13=A' 14=A'' 15=A' 16=A'' 17=A' 18=A'' 19=A' 20=A' 21=A' 22=A' ...... END OF INITIAL ORBITAL SELECTION ...... STEP CPU TIME = 0.01 TOTAL CPU TIME = 0.0 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.0 SECONDS, CPU UTILIZATION IS 50.00% ---------------------- AO INTEGRAL TECHNOLOGY ---------------------- S,P,L SHELL ROTATED AXIS INTEGRALS, REPROGRAMMED BY KAZUYA ISHIMURA (IMS) AND JOSE SIERRA (SYNSTAR). S,P,D,L SHELL ROTATED AXIS INTEGRALS PROGRAMMED BY KAZUYA ISHIMURA (INSTITUTE FOR MOLECULAR SCIENCE). S,P,D,F,G SHELL TO TOTAL QUARTET ANGULAR MOMENTUM SUM 5, ERIC PROGRAM BY GRAHAM FLETCHER (ELORET AND NASA ADVANCED SUPERCOMPUTING DIVISION, AMES RESEARCH CENTER). S,P,D,F,G,L SHELL GENERAL RYS QUADRATURE PROGRAMMED BY MICHEL DUPUIS (PACIFIC NORTHWEST NATIONAL LABORATORY). -------------------- 2 ELECTRON INTEGRALS -------------------- THE -PK- OPTION IS OFF, THE INTEGRALS ARE NOT IN SUPERMATRIX FORM. STORING 15000 INTEGRALS/RECORD ON DISK, USING 12 BYTES/INTEGRAL. TWO ELECTRON INTEGRAL EVALUATION REQUIRES 90462 WORDS OF MEMORY. II,JST,KST,LST = 1 1 1 1 NREC = 1 INTLOC = 1 II,JST,KST,LST = 2 1 1 1 NREC = 1 INTLOC = 2 II,JST,KST,LST = 3 1 1 1 NREC = 1 INTLOC = 34 II,JST,KST,LST = 4 1 1 1 NREC = 1 INTLOC = 214 II,JST,KST,LST = 5 1 1 1 NREC = 1 INTLOC = 776 II,JST,KST,LST = 6 1 1 1 NREC = 1 INTLOC = 2074 II,JST,KST,LST = 7 1 1 1 NREC = 1 INTLOC = 5929 II,JST,KST,LST = 8 1 1 1 NREC = 1 INTLOC = 7854 II,JST,KST,LST = 9 1 1 1 NREC = 2 INTLOC = 3441 II,JST,KST,LST = 10 1 1 1 NREC = 3 INTLOC = 4565 II,JST,KST,LST = 11 1 1 1 NREC = 3 INTLOC =14655 TOTAL NUMBER OF NONZERO TWO-ELECTRON INTEGRALS = 55938 4 INTEGRAL RECORDS WERE STORED ON DISK FILE 8. ...... END OF TWO-ELECTRON INTEGRALS ..... STEP CPU TIME = 0.03 TOTAL CPU TIME = 0.0 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.1 SECONDS, CPU UTILIZATION IS 66.67% -------------------------- RHF SCF CALCULATION -------------------------- NUCLEAR ENERGY = 51.6421723661 MAXIT = 30 NPUNCH= 2 EXTRAP=T DAMP=F SHIFT=F RSTRCT=F DIIS=F DEM=F SOSCF=T DENSITY MATRIX CONV= 1.00E-05 SOSCF WILL OPTIMIZE 264 ORBITAL ROTATIONS, SOGTOL= 0.250 MEMORY REQUIRED FOR RHF ITERS= 39624 WORDS. ITER EX DEM TOTAL ENERGY E CHANGE DENSITY CHANGE ORB. GRAD 1 0 0 -397.5911926028 -397.5911926028 35.723862984 0.000000000 2 1 0 -397.5258117386 0.0653808642 4.656272012 0.555570091 3 2 0 -402.5736531897 -5.0478414511 4.051542687 1.094779862 4 3 0 -398.8141743245 3.7594788652 4.050182525 0.848877660 5 0 0 -399.8392381712 -1.0250638467 1.759467065 1.307926485 ---------------START SECOND ORDER SCF--------------- 6 1 0 -413.5687021233 -13.7294639521 0.566045048 0.209694939 7 2 0 -413.6339543829 -0.0652522596 0.283497747 0.218080989 8 3 0 -414.0622251089 -0.4282707260 0.152116559 0.055724343 9 4 0 -414.0824148253 -0.0201897163 0.062802198 0.025563250 10 5 0 -414.0938624413 -0.0114476160 0.011104079 0.005940902 11 6 0 -414.0944000177 -0.0005375764 0.007276647 0.002979291 12 7 0 -414.0945153528 -0.0001153351 0.002809488 0.001267875 13 8 0 -414.0945306419 -0.0000152891 0.001276423 0.000242647 14 9 0 -414.0945319537 -0.0000013118 0.000336108 0.000086287 15 10 0 -414.0945320707 -0.0000001170 0.000086506 0.000028565 16 11 0 -414.0945320820 -0.0000000113 0.000017880 0.000005005 17 12 0 -414.0945320827 -0.0000000007 0.000004475 0.000001912 18 13 0 -414.0945320827 -0.0000000001 0.000000956 0.000000542 ----------------- DENSITY CONVERGED ----------------- TIME TO FORM FOCK OPERATORS= 0.0 SECONDS ( 0.0 SEC/ITER) TIME TO SOLVE SCF EQUATIONS= 0.0 SECONDS ( 0.0 SEC/ITER) FINAL RHF ENERGY IS -414.0945320827 AFTER 18 ITERATIONS ------------ EIGENVECTORS ------------ 1 2 3 4 5 -79.5487 -20.4707 -7.5405 -5.4302 -5.4284 A' A' A' A' A'' 1 P 1 S 0.985544 0.000048 -0.291772 0.000606 0.000000 2 P 1 S 0.066545 -0.000705 0.956064 -0.001411 0.000000 3 P 1 X -0.000166 -0.000398 0.002597 0.938621 0.000000 4 P 1 Y 0.000018 0.000024 0.004744 -0.249188 0.000000 5 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.973064 6 P 1 S -0.091555 0.001917 0.301425 -0.004592 0.000000 7 P 1 X 0.001223 0.006681 0.001853 0.096984 0.000000 8 P 1 Y 0.000112 -0.000228 0.001242 -0.023511 0.000000 9 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.089451 10 P 1 S -0.015332 0.016504 -0.013109 0.011751 0.000000 11 P 1 X 0.000370 0.010310 -0.000440 -0.028166 0.000000 12 P 1 Y -0.001087 0.002722 -0.001330 0.011362 0.000000 13 P 1 Z 0.000000 0.000000 0.000000 0.000000 -0.035841 14 P 1 S 0.004369 -0.000955 0.002773 -0.002949 0.000000 15 P 1 X -0.000284 -0.001600 0.000061 0.008018 0.000000 16 P 1 Y -0.000146 0.000043 0.000190 -0.002682 0.000000 17 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.012502 18 P 1 XX 0.041359 0.004255 -0.090675 0.014571 0.000000 19 P 1 YY 0.040017 -0.002308 -0.091977 -0.000440 0.000000 20 P 1 ZZ 0.040214 -0.003183 -0.091491 0.000277 0.000000 21 P 1 XY -0.000001 -0.000123 -0.000171 0.000567 0.000000 22 P 1 XZ 0.000000 0.000000 0.000000 0.000000 0.000328 23 P 1 YZ 0.000000 0.000000 0.000000 0.000000 0.000451 24 O 2 S 0.000029 0.983513 -0.000403 -0.000954 0.000000 25 O 2 S -0.000343 0.097538 0.000596 0.002049 0.000000 26 O 2 X 0.000606 -0.003606 -0.000913 -0.000231 0.000000 27 O 2 Y -0.000049 0.000181 -0.000057 0.000090 0.000000 28 O 2 Z 0.000000 0.000000 0.000000 0.000000 -0.000056 29 O 2 S -0.000542 -0.044640 0.000165 -0.013942 0.000000 30 O 2 X 0.001855 0.011878 0.000727 0.016409 0.000000 31 O 2 Y 0.000197 -0.000550 0.000180 -0.000328 0.000000 32 O 2 Z 0.000000 0.000000 0.000000 0.000000 -0.000360 33 H 3 S -0.000836 0.000003 0.000369 0.002942 0.000000 34 H 3 S 0.002197 -0.003901 0.001119 -0.005523 0.000000 6 7 8 9 10 -5.4261 -1.3632 -0.7766 -0.6091 -0.5494 A' A' A' A' A' 1 P 1 S 0.001802 0.029103 0.055763 -0.012519 -0.012376 2 P 1 S -0.006200 -0.145466 -0.294430 0.065800 0.069736 3 P 1 X 0.249248 -0.097759 0.034873 0.088260 -0.141942 4 P 1 Y 0.940945 -0.002761 -0.060257 -0.127185 -0.055162 5 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.000000 6 P 1 S -0.000406 0.139595 0.316280 -0.096770 -0.060328 7 P 1 X 0.024484 0.132854 -0.061123 -0.177005 0.288024 8 P 1 Y 0.084964 0.005827 0.118408 0.249252 0.105278 9 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.000000 10 P 1 S -0.000231 0.038607 0.386931 -0.056347 -0.186361 11 P 1 X -0.007175 -0.021226 -0.065843 -0.026285 0.117102 12 P 1 Y -0.035692 -0.004947 0.028137 0.163102 0.112212 13 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.000000 14 P 1 S -0.002189 0.009332 -0.051224 0.052182 -0.058755 15 P 1 X 0.002461 0.017347 -0.017932 0.036519 -0.040762 16 P 1 Y 0.010835 0.000134 -0.005405 0.006932 0.015755 17 P 1 Z 0.000000 0.000000 0.000000 0.000000 0.000000 18 P 1 XX 0.002967 0.075068 0.026897 -0.078091 0.070907 19 P 1 YY 0.001313 -0.011113 0.068810 0.063799 -0.047366 20 P 1 ZZ -0.000116 -0.008099 0.009900 -0.001463 -0.028088 21 P 1 XY 0.000314 0.000822 -0.010891 0.026781 0.067176 22 P 1 XZ 0.000000 0.000000 0.000000 0.000000 0.000000 23 P 1 YZ 0.000000 0.000000 0.000000 0.000000 0.000000 24 O 2 S -0.000295 -0.222555 0.092188 -0.053688 0.034041 25 O 2 S 0.000286 0.217122 -0.084955 0.046441 -0.025813 26 O 2 X -0.000158 -0.109780 -0.164838 0.282852 -0.292296 27 O 2 Y 0.000115 0.000399 0.039276 0.271053 0.316216 28 O 2 Z 0.000000 0.000000 0.000000 0.000000 0.000000 29 O 2 S -0.002316 0.661871 -0.372463 0.250156 -0.180936 30 O 2 X 0.003840 -0.098470 -0.132756 0.253685 -0.269839 31 O 2 Y -0.000065 0.001556 0.036935 0.284716 0.352514 32 O 2 Z 0.000000 0.000000 0.000000 0.000000 0.000000 33 H 3 S -0.004670 0.017882 0.174837 0.138363 -0.057940 34 H 3 S 0.007125 0.010250 0.161704 0.135328 -0.092837 11 12 13 14 15 -0.5116 -0.3873 0.0318 0.0806 0.1106 A'' A' A'' A' A' 1 P 1 S 0.000000 0.023723 0.000000 -0.018762 0.006911 2 P 1 S 0.000000 -0.136643 0.000000 0.122273 -0.049510 3 P 1 X 0.000000 0.085139 0.000000 -0.021926 0.041754 4 P 1 Y 0.000000 0.134111 0.000000 0.017369 0.030014 5 P 1 Z -0.142013 0.000000 -0.148406 0.000000 0.000000 6 P 1 S 0.000000 0.125579 0.000000 -0.038816 0.002129 7 P 1 X 0.000000 -0.173396 0.000000 0.028205 -0.082391 8 P 1 Y 0.000000 -0.290024 0.000000 -0.038247 -0.035247 9 P 1 Z 0.277647 0.000000 0.304049 0.000000 0.000000 10 P 1 S 0.000000 0.472944 0.000000 -0.938332 0.561303 11 P 1 X 0.000000 -0.173791 0.000000 0.210214 -0.125331 12 P 1 Y 0.000000 -0.133286 0.000000 -0.055707 -0.328137 13 P 1 Z 0.242596 0.000000 0.375665 0.000000 0.000000 14 P 1 S 0.000000 0.049737 0.000000 1.239078 -0.684887 15 P 1 X 0.000000 0.006022 0.000000 -0.773630 -0.252003 16 P 1 Y 0.000000 -0.004958 0.000000 0.229215 1.077203 17 P 1 Z 0.023775 0.000000 0.461932 0.000000 0.000000 18 P 1 XX 0.000000 0.000711 0.000000 0.046612 0.040283 19 P 1 YY 0.000000 -0.047324 0.000000 -0.012628 -0.058833 20 P 1 ZZ 0.000000 0.050426 0.000000 0.002259 -0.015468 21 P 1 XY 0.000000 0.094080 0.000000 0.005776 -0.007066 22 P 1 XZ 0.099218 0.000000 -0.089858 0.000000 0.000000 23 P 1 YZ 0.004205 0.000000 0.008039 0.000000 0.000000 24 O 2 S 0.000000 0.003357 0.000000 -0.010578 -0.028964 25 O 2 S 0.000000 -0.004705 0.000000 0.009688 0.019555 26 O 2 X 0.000000 0.086877 0.000000 -0.049349 0.004099 27 O 2 Y 0.000000 0.283651 0.000000 -0.000758 -0.029934 28 O 2 Z 0.397306 0.000000 -0.265061 0.000000 0.000000 29 O 2 S 0.000000 -0.010315 0.000000 0.064199 0.197645 30 O 2 X 0.000000 0.093746 0.000000 -0.061144 0.051593 31 O 2 Y 0.000000 0.361329 0.000000 -0.005212 -0.045970 32 O 2 Z 0.468064 0.000000 -0.425212 0.000000 0.000000 33 H 3 S 0.000000 -0.190238 0.000000 0.002392 -0.034235 34 H 3 S 0.000000 -0.434051 0.000000 -0.070362 -0.214218 16 17 18 19 20 0.1152 0.1269 0.2386 0.3037 0.6803 A' A'' A' A' A' 1 P 1 S -0.000376 0.000000 -0.003103 0.019914 -0.046623 2 P 1 S 0.010293 0.000000 0.014170 -0.136086 0.106142 3 P 1 X -0.042945 0.000000 -0.059721 -0.054608 -0.074668 4 P 1 Y 0.052391 0.000000 0.118570 -0.071471 0.190060 5 P 1 Z 0.000000 0.135456 0.000000 0.000000 0.000000 6 P 1 S 0.046930 0.000000 -0.042007 -0.096231 -1.505064 7 P 1 X 0.093348 0.000000 0.089094 0.060344 0.290841 8 P 1 Y -0.090828 0.000000 -0.232354 0.157588 -0.764206 9 P 1 Z 0.000000 -0.235312 0.000000 0.000000 0.000000 10 P 1 S -0.457416 0.000000 -0.090242 1.321861 2.465079 11 P 1 X -0.019794 0.000000 0.908984 1.158525 -0.268835 12 P 1 Y -0.409170 0.000000 -1.140870 0.721063 1.086657 13 P 1 Z 0.000000 -0.873346 0.000000 0.000000 0.000000 14 P 1 S 0.776734 0.000000 -0.587060 -0.119799 -0.848494 15 P 1 X 0.754436 0.000000 -0.518049 -0.689466 0.135950 16 P 1 Y 0.670414 0.000000 0.111531 0.022265 -0.389872 17 P 1 Z 0.000000 1.219070 0.000000 0.000000 0.000000 18 P 1 XX -0.063588 0.000000 -0.099270 -0.130881 -0.108573 19 P 1 YY 0.026901 0.000000 0.122545 0.031118 -0.305314 20 P 1 ZZ 0.052189 0.000000 -0.031913 0.191864 0.074288 21 P 1 XY 0.012395 0.000000 0.019975 0.009599 0.028767 22 P 1 XZ 0.000000 0.029250 0.000000 0.000000 0.000000 23 P 1 YZ 0.000000 -0.008124 0.000000 0.000000 0.000000 24 O 2 S 0.051249 0.000000 0.014522 0.068246 0.006078 25 O 2 S -0.037188 0.000000 0.003952 -0.017257 0.001252 26 O 2 X 0.002919 0.000000 0.094257 0.176397 -0.031388 27 O 2 Y 0.012004 0.000000 0.116696 -0.075861 -0.011326 28 O 2 Z 0.000000 0.100213 0.000000 0.000000 0.000000 29 O 2 S -0.334155 0.000000 -0.224684 -0.760833 -0.195606 30 O 2 X -0.077379 0.000000 0.183941 0.362221 0.003180 31 O 2 Y 0.032058 0.000000 0.255182 -0.163754 -0.076335 32 O 2 Z 0.000000 0.183954 0.000000 0.000000 0.000000 33 H 3 S -0.006026 0.000000 0.104412 -0.062587 -0.110690 34 H 3 S 0.056069 0.000000 1.296366 -1.009877 -0.143828 21 22 23 24 25 0.7212 0.7260 0.8256 0.8654 0.9384 A' A'' A' A'' A' 1 P 1 S -0.035867 0.000000 -0.022356 0.000000 0.004516 2 P 1 S 0.095248 0.000000 0.071135 0.000000 -0.018198 3 P 1 X -0.065019 0.000000 0.344764 0.000000 0.009907 4 P 1 Y -0.278768 0.000000 -0.016501 0.000000 -0.006848 5 P 1 Z 0.000000 0.363583 0.000000 0.011560 0.000000 6 P 1 S -1.098391 0.000000 -0.658422 0.000000 0.133276 7 P 1 X 0.254027 0.000000 -1.379767 0.000000 -0.028221 8 P 1 Y 1.101390 0.000000 0.057933 0.000000 -0.019750 9 P 1 Z 0.000000 -1.403272 0.000000 -0.039834 0.000000 10 P 1 S 1.688225 0.000000 0.687899 0.000000 -0.237754 11 P 1 X -0.315759 0.000000 1.495785 0.000000 0.066048 12 P 1 Y -1.265412 0.000000 -0.088514 0.000000 0.053358 13 P 1 Z 0.000000 1.624919 0.000000 0.022982 0.000000 14 P 1 S -0.556859 0.000000 -0.156283 0.000000 -0.031335 15 P 1 X 0.134089 0.000000 -0.456347 0.000000 -0.004399 16 P 1 Y 0.556030 0.000000 0.014578 0.000000 -0.089729 17 P 1 Z 0.000000 -0.653035 0.000000 -0.009056 0.000000 18 P 1 XX -0.109379 0.000000 0.303447 0.000000 0.033764 19 P 1 YY 0.025980 0.000000 -0.148685 0.000000 0.100101 20 P 1 ZZ -0.127526 0.000000 -0.221326 0.000000 -0.156325 21 P 1 XY 0.061075 0.000000 -0.031121 0.000000 0.987665 22 P 1 XZ 0.000000 -0.111551 0.000000 -0.046882 0.000000 23 P 1 YZ 0.000000 -0.029377 0.000000 0.998536 0.000000 24 O 2 S -0.001107 0.000000 -0.007368 0.000000 0.000674 25 O 2 S 0.002016 0.000000 0.041761 0.000000 0.001768 26 O 2 X -0.028188 0.000000 -0.190213 0.000000 0.008534 27 O 2 Y -0.021522 0.000000 0.004517 0.000000 -0.219899 28 O 2 Z 0.000000 0.042817 0.000000 0.012923 0.000000 29 O 2 S -0.070368 0.000000 -0.325793 0.000000 -0.001300 30 O 2 X -0.025419 0.000000 -0.285705 0.000000 0.020321 31 O 2 Y 0.045728 0.000000 0.012899 0.000000 -0.192612 32 O 2 Z 0.000000 -0.028770 0.000000 0.012213 0.000000 33 H 3 S 0.072055 0.000000 -0.031527 0.000000 -0.178979 34 H 3 S -0.187736 0.000000 0.079794 0.000000 0.390967 26 27 28 29 30 0.9538 0.9586 1.3039 1.4791 1.8906 A' A'' A' A' A'' 1 P 1 S 0.011042 0.000000 0.018821 0.000547 0.000000 2 P 1 S -0.025006 0.000000 -0.127895 0.022703 0.000000 3 P 1 X 0.025957 0.000000 -0.151162 -0.118826 0.000000 4 P 1 Y -0.110235 0.000000 -0.051357 0.050389 0.000000 5 P 1 Z 0.000000 0.036304 0.000000 0.000000 0.003184 6 P 1 S 0.464204 0.000000 0.216251 0.044650 0.000000 7 P 1 X -0.088538 0.000000 0.739872 0.612803 0.000000 8 P 1 Y 0.405893 0.000000 0.116805 -0.088661 0.000000 9 P 1 Z 0.000000 -0.160072 0.000000 0.000000 -0.026830 10 P 1 S -1.164970 0.000000 0.694029 0.647936 0.000000 11 P 1 X 0.161201 0.000000 0.314872 0.350417 0.000000 12 P 1 Y -1.136718 0.000000 -0.155824 0.073819 0.000000 13 P 1 Z 0.000000 0.314437 0.000000 0.000000 -0.250473 14 P 1 S -0.089915 0.000000 -0.406535 0.007058 0.000000 15 P 1 X 0.019424 0.000000 -0.103613 -0.204648 0.000000 16 P 1 Y 0.027295 0.000000 -0.108847 0.156290 0.000000 17 P 1 Z 0.000000 -0.092825 0.000000 0.000000 0.009579 18 P 1 XX 0.025005 0.000000 0.866589 0.954389 0.000000 19 P 1 YY -0.808395 0.000000 -0.218868 -0.613835 0.000000 20 P 1 ZZ 0.740170 0.000000 -0.746806 -0.017828 0.000000 21 P 1 XY 0.081947 0.000000 -0.186886 0.188970 0.000000 22 P 1 XZ 0.000000 1.009645 0.000000 0.000000 -0.264749 23 P 1 YZ 0.000000 0.043750 0.000000 0.000000 0.000352 24 O 2 S -0.009837 0.000000 0.093635 0.079108 0.000000 25 O 2 S 0.012184 0.000000 -0.092076 -0.058610 0.000000 26 O 2 X 0.016300 0.000000 0.129572 -0.094875 0.000000 27 O 2 Y 0.033811 0.000000 0.007503 0.033524 0.000000 28 O 2 Z 0.000000 -0.228762 0.000000 0.000000 -1.033819 29 O 2 S 0.135736 0.000000 -0.860711 -0.828730 0.000000 30 O 2 X -0.019896 0.000000 0.870777 0.929540 0.000000 31 O 2 Y 0.057043 0.000000 0.034066 -0.054423 0.000000 32 O 2 Z 0.000000 -0.239638 0.000000 0.000000 1.102459 33 H 3 S -0.407217 0.000000 -0.773733 1.030268 0.000000 34 H 3 S 1.604670 0.000000 0.805351 -0.923823 0.000000 31 32 33 34 1.9023 1.9586 3.1533 3.3123 A' A' A' A' 1 P 1 S -0.000106 -0.009991 0.108453 0.057225 2 P 1 S 0.013843 0.108065 -1.123223 -0.582250 3 P 1 X -0.001210 0.010866 0.059871 -0.044502 4 P 1 Y 0.002738 -0.009818 0.002822 0.003411 5 P 1 Z 0.000000 0.000000 0.000000 0.000000 6 P 1 S 0.076665 -0.160498 4.746141 2.332599 7 P 1 X 0.051497 0.301657 -0.422408 0.452958 8 P 1 Y -0.010492 0.016480 -0.004053 -0.018114 9 P 1 Z 0.000000 0.000000 0.000000 0.000000 10 P 1 S -0.185568 0.208393 0.884709 1.603801 11 P 1 X 0.058494 0.083865 -0.347826 0.542994 12 P 1 Y -0.470385 0.047115 0.008112 0.188457 13 P 1 Z 0.000000 0.000000 0.000000 0.000000 14 P 1 S -0.042805 -0.207053 -0.309405 -0.256293 15 P 1 X -0.020792 -0.156163 0.079752 -0.098730 16 P 1 Y 0.011904 -0.036353 0.017937 0.010413 17 P 1 Z 0.000000 0.000000 0.000000 0.000000 18 P 1 XX 0.043991 0.043536 -2.867382 -0.814574 19 P 1 YY -0.063684 0.344148 -2.378952 -1.299507 20 P 1 ZZ 0.077186 0.231646 -2.348067 -1.364494 21 P 1 XY -0.247593 -0.000819 0.008022 -0.006493 22 P 1 XZ 0.000000 0.000000 0.000000 0.000000 23 P 1 YZ 0.000000 0.000000 0.000000 0.000000 24 O 2 S 0.002154 0.026353 0.013633 -0.059287 25 O 2 S 0.009025 -0.094775 -0.772425 1.535216 26 O 2 X -0.121804 -1.025115 -0.063149 -0.202175 27 O 2 Y -1.014039 0.115379 -0.003006 0.021808 28 O 2 Z 0.000000 0.000000 0.000000 0.000000 29 O 2 S -0.031785 -0.080961 1.294170 -2.161845 30 O 2 X 0.174055 1.223198 -0.596259 0.742801 31 O 2 Y 1.145283 -0.129957 0.003348 -0.047853 32 O 2 Z 0.000000 0.000000 0.000000 0.000000 33 H 3 S 0.022111 -0.241060 0.125401 0.059370 34 H 3 S 0.287479 0.162366 -0.108377 -0.308335 ...... END OF RHF CALCULATION ...... STEP CPU TIME = 0.04 TOTAL CPU TIME = 0.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.2 SECONDS, CPU UTILIZATION IS 50.00% ---------------------------------------------------------------- PROPERTY VALUES FOR THE RHF SELF-CONSISTENT FIELD WAVEFUNCTION ---------------------------------------------------------------- ----------------- ENERGY COMPONENTS ----------------- WAVEFUNCTION NORMALIZATION = 1.0000000000 ONE ELECTRON ENERGY = -675.3899858714 TWO ELECTRON ENERGY = 209.6532814226 NUCLEAR REPULSION ENERGY = 51.6421723661 ------------------ TOTAL ENERGY = -414.0945320827 ELECTRON-ELECTRON POTENTIAL ENERGY = 209.6532814226 NUCLEUS-ELECTRON POTENTIAL ENERGY = -1086.8687462955 NUCLEUS-NUCLEUS POTENTIAL ENERGY = 51.6421723661 ------------------ TOTAL POTENTIAL ENERGY = -825.5732925069 TOTAL KINETIC ENERGY = 411.4787604241 VIRIAL RATIO (V/T) = 2.0063570029 ...... PI ENERGY ANALYSIS ...... ENERGY ANALYSIS: FOCK ENERGY= -256.0834201470 BARE H ENERGY= -675.3899858714 ELECTRONIC ENERGY = -465.7367030092 KINETIC ENERGY= 411.4787604241 N-N REPULSION= 51.6421723661 TOTAL ENERGY= -414.0945306431 SIGMA PART(1+2)= -419.4787728439 (K,V1,2)= 378.6796347562 -973.4336226323 175.2752150322 PI PART(1+2)= -46.2579301653 (K,V1,2)= 32.7991256679 -113.4351236633 34.3780678300 SIGMA SKELETON, ERROR= -367.8366004778 0.0000000000 MIXED PART= 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 ...... END OF PI ENERGY ANALYSIS ...... --------------------------------------- MULLIKEN AND LOWDIN POPULATION ANALYSES --------------------------------------- ATOMIC MULLIKEN POPULATION IN EACH MOLECULAR ORBITAL 1 2 3 4 5 2.000000 2.000000 2.000000 2.000000 2.000000 1 2.000014 0.003967 1.999918 2.004666 2.000022 2 -0.000077 1.996076 -0.000195 -0.004900 -0.000022 3 0.000063 -0.000043 0.000277 0.000234 0.000000 6 7 8 9 10 2.000000 2.000000 2.000000 2.000000 2.000000 1 1.999768 0.360692 1.156961 0.600783 0.634033 2 -0.000275 1.633648 0.455646 1.185591 1.318765 3 0.000507 0.005660 0.387393 0.213626 0.047203 11 12 2.000000 2.000000 1 0.673069 0.964502 2 1.326931 0.559559 3 0.000000 0.475939 ----- POPULATIONS IN EACH AO ----- MULLIKEN LOWDIN 1 P 1 S 1.99478 1.99685 2 P 1 S 1.90218 1.91895 3 P 1 X 1.95765 1.93587 4 P 1 Y 1.95913 1.93436 5 P 1 Z 1.95009 1.91750 6 P 1 S 0.87602 0.47602 7 P 1 X 0.63376 0.62437 8 P 1 Y 0.66619 0.61639 9 P 1 Z 0.35638 0.36472 10 P 1 S 0.86543 0.51462 11 P 1 X 0.14974 0.31435 12 P 1 Y 0.38924 0.50845 13 P 1 Z 0.29381 0.30415 14 P 1 S 0.03461 0.19666 15 P 1 X 0.02115 0.05022 16 P 1 Y 0.01113 0.08491 17 P 1 Z 0.01779 0.05236 18 P 1 XX 0.10095 0.32188 19 P 1 YY 0.06143 0.24818 20 P 1 ZZ 0.01289 0.22223 21 P 1 XY 0.08901 0.11331 22 P 1 XZ 0.05499 0.06240 23 P 1 YZ 0.00004 0.00004 24 O 2 S 1.98656 1.98150 25 O 2 S 0.43398 0.58256 26 O 2 X 0.70936 0.69207 27 O 2 Y 0.81875 0.82394 28 O 2 Z 0.53380 0.52815 29 O 2 S 1.48086 1.02529 30 O 2 X 0.70742 0.79228 31 O 2 Y 1.00691 0.99033 32 O 2 Z 0.79311 0.77070 33 H 3 S 0.46055 0.48047 34 H 3 S 0.67031 0.55395 ----- MULLIKEN ATOMIC OVERLAP POPULATIONS ----- (OFF-DIAGONAL ELEMENTS NEED TO BE MULTIPLIED BY 2) 1 2 3 1 13.7358617 2 0.5099090 7.9941919 3 0.1526259 -0.0333568 1.0115902 TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS ATOM MULL.POP. CHARGE LOW.POP. CHARGE 1 PHOSPHORUS 14.398397 0.601603 14.778762 0.221238 2 OXYGEN 8.470744 -0.470744 8.186819 -0.186819 3 HYDROGEN 1.130859 -0.130859 1.034420 -0.034420 ------------------------------- BOND ORDER AND VALENCE ANALYSIS BOND ORDER THRESHOLD=0.050 ------------------------------- BOND BOND BOND ATOM PAIR DIST ORDER ATOM PAIR DIST ORDER ATOM PAIR DIST ORDER 1 2 1.439 2.047 1 3 1.409 0.875 TOTAL BONDED FREE ATOM VALENCE VALENCE VALENCE 1 PHOSPHORUS 2.921 2.921 0.000 2 OXYGEN 2.087 2.087 0.000 3 HYDROGEN 0.915 0.915 0.000 --------------------- ELECTROSTATIC MOMENTS --------------------- POINT 1 X Y Z (BOHR) CHARGE 0.892590 0.054151 0.000000 0.00 (A.U.) DX DY DZ /D/ (DEBYE) -2.508245 0.368497 0.000000 2.535169 ...... END OF PROPERTY EVALUATION ...... STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.2 SECONDS, CPU UTILIZATION IS 47.06% BEGINNING ONE ELECTRON GRADIENT... ..... END OF 1-ELECTRON GRADIENT ...... STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.2 SECONDS, CPU UTILIZATION IS 47.06% ---------------------- GRADIENT OF THE ENERGY ---------------------- THE MINIMUM MEMORY REQUIRED FOR THIS RUN IS 71574 WORDS. USING 998318 WORDS FOR 2E- DERIVATIVE INTEGRAL CONTRIBUTIONS. THE COARSE/FINE SCHWARZ SCREENINGS SKIPPED 0/ 0 BLOCKS. THE NUMBER OF GRADIENT INTEGRAL BLOCKS COMPUTED WAS 1926 ...... END OF 2-ELECTRON GRADIENT ...... STEP CPU TIME = 0.04 TOTAL CPU TIME = 0.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.2 SECONDS, CPU UTILIZATION IS 57.14% ---------------------- GRADIENT OF THE ENERGY ---------------------- UNITS ARE HARTREE/BOHR E'X E'Y E'Z 1 PHOSPHORUS 0.046372316 0.003364658 0.000000000 2 OXYGEN -0.052791683 0.004224764 0.000000000 3 HYDROGEN 0.006419367 -0.007589422 0.000000000 MAXIMUM GRADIENT = 0.052791683 RMS GRADIENT = 0.023723712 $VIB IVIB= 0 IATOM= 0 ICOORD= 0 E= -414.0945320827 4.637231557E-02 3.364657954E-03 0.000000000E+00-5.279168300E-02 4.224763718E-03 0.000000000E+00 6.419367427E-03-7.589421672E-03 0.000000000E+00 -2.508244612E+00 3.684970281E-01 0.000000000E+00 ..... END OF SINGLE POINT GRADIENT ..... STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.2 SECONDS, CPU UTILIZATION IS 57.14% 998318 WORDS OF DYNAMIC MEMORY USED EXECUTION OF GAMESS TERMINATED NORMALLY Thu Jun 20 13:27:12 2013 DDI: 263624 bytes (0.3 MB / 0 MWords) used by master data server. ---------------------------------------- CPU timing information for all processes ======================================== 0: 0.103 + 0.26 = 0.130 ---------------------------------------- ddikick.x: exited gracefully. unset echo ----- accounting info ----- Files used on the master node PaulDirac were: -rw-r--r-- 1 nikita 20377 Jun 20 13:27 /mnt/disk2/nikita/scr/exam07.dat -rw-r--r-- 1 nikita 828 Jun 20 13:27 /mnt/disk2/nikita/scr/exam07.F05 -rw-r--r-- 1 nikita 720064 Jun 20 13:27 /mnt/disk2/nikita/scr/exam07.F08 -rw-r--r-- 1 nikita 1537840 Jun 20 13:27 /mnt/disk2/nikita/scr/exam07.F10 ls: No match. ls: No match. ls: No match. Thu Jun 20 13:27:15 EDT 2013 0.256u 0.138s 0:03.61 10.5% 0+0k 0+0io 0pf+0w