0 4
Pd 2.88941971 -0.33050662 0.02276184
C 3.03414371 1.54406238 -0.51346716
C 3.29030971 2.62606338 0.32452084
C 3.04064971 1.70740638 -1.90258216
C 3.55747971 3.88713638 -0.22978116
H 3.28064871 2.51266538 1.40275784
C 3.30534371 2.96462438 -2.45501216
H 2.82907371 0.86131338 -2.55662816
C 3.56617271 4.05729238 -1.61686516
H 3.75844971 4.73519838 0.42126084
H 3.30710371 3.09839038 -3.53503816
H 3.77149371 5.03398838 -2.04622816
O 3.15788929 -2.27306538 0.62016416
P 3.22854371 -0.68347862 2.30743584
H 3.36895900 0.43071800 3.25431900
H 2.14479800 -1.43728100 2.87886200
H 4.41094700 -1.45833300 2.56217600
C 2.73827829 -3.06028738 -0.38005184
H 2.88407129 -2.62064638 -1.39404184
O 1.26170229 -3.12453638 -0.30493184
H 0.98382529 -3.57684938 0.52070416
C 3.27985029 -4.48964538 -0.25809184
H 4.32961129 -4.53134338 -0.56152384
H 3.23153429 -4.83864138 0.77828016
H 2.71015529 -5.18511838 -0.88218584
C -3.59589229 1.43855138 0.32173784
C -2.22879229 1.88198338 0.44842184
C -1.16189829 0.89383938 0.24876084
C -1.53150129 -0.47126462 -0.08457716
C -2.82821429 -0.85422462 -0.18825516
C -3.91509329 0.14646238 0.01986784
S -4.66430629 2.79422838 0.60358284
C -3.35077229 3.88874438 0.86903584
C -2.11917729 3.24691938 0.74924184
C 0.22322671 1.08223838 0.33723584
C 0.96192771 -0.06473262 0.07899084
S -0.07462529 -1.44863862 -0.26281416
C -5.22077329 -0.54074762 -0.16403516
C -3.45788929 -2.15679962 -0.48433816
N -4.88380429 -1.90022462 -0.46310116
O -2.99589829 -3.25129062 -0.69436316
O -6.34989629 -0.11746062 -0.08594016
C -5.89258829 -2.93752662 -0.73827616
H -3.51903329 4.92677038 1.09265284
H -1.16944229 3.75299738 0.87151684
H 0.67041471 2.04431438 0.56441884
H -6.76880929 -2.80438462 -0.07964516
H -6.23517729 -2.87996862 -1.78613016
H -5.45865729 -3.93950562 -0.56708616
C H P O N S 0
6-31++g*
****
Pd 0
Lanl2dz
****
Pd 0
Lanl2dz
输出文件（末端错误信息） (, 下载次数 Times of downloads: 3)
上传 Uploaded
点击下载Click to download
Rotational constants (GHZ): 0.1662637 0.0770780 0.0580445
Leave Link 202 at Sat Mar 2 14:54:48 2019, MaxMem= 33554432 cpu: 0.0
(Enter /home/jy/g09/l301.exe)
General basis read from cards: (5D, 7F)
Centers: 2 3 4 5 7 9 18 22 26 27 28 29 30 31 33 34 35 36 38 39
Centers: 43 6 8 10 11 12 15 16 17 19 21 23 24 25 44 45 46 47 48 49
Centers: 14 13 20 41 42 40 32 37
6-31++g*
****
Centers: 1
Lanl2dz
****
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 1 primitive shells out of 479 were deleted.
======================================================================================================
Pseudopotential Parameters
======================================================================================================
Center Atomic Valence Angular Power
Number Number Electrons Momentum of R Exponent Coefficient SO-Coeffient
======================================================================================================
EOF while reading ECP pointer card.
Error termination via Lnk1e in /home/jy/g09/l301.exe at Sat Mar 2 14:54:48 2019.
Job cpu time: 0 days 0 hours 0 minutes 0.3 seconds.
File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1