%chk=000002144.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002144

0 1
 S   -4.799000      0.5139000      0.2930000    
 O    3.548400      -1.154100      0.2558000    
 O    3.242800       1.602800      0.4554000    
 O    1.350700      -1.223900      -1.744900    
 O   -5.075100       1.570100     -0.6708000    
 O   -5.723800     -0.6035000      0.4258000    
 N    1.147100      -2.653400      6.9499999E-02
 N   -4.567100       1.219100       1.832100    
 N    1.763800       4.841600     -0.4685000    
 C    2.454000      -3.259300     -4.7100000E-02
 C    3.480500      -2.481300      0.7606000    
 C  -0.6553000      -1.133600     -0.5340000    
 C    4.494400     -0.3716000      0.9715000    
 C   -3.204400     -0.1205000     -2.6300000E-02
 C    4.538300       1.021200      0.3732000    
 C   0.6736000      -1.662100     -0.7979000    
 C  -0.9828000      0.1624000     -0.9323000    
 C   -1.602500      -1.923200      0.1182000    
 C   -2.257400      0.6690000     -0.6785000    
 C   -2.877000      -1.416700      0.3721000    
 C    3.229700       2.921600     -7.2700001E-02
 C    1.821200       3.481400      4.5800000E-02
 H    2.377900      -4.288400      0.3166000    
 H    2.737000      -3.277200      -1.104900    
 H    4.460600      -2.963000      0.6712000    
 H    3.190000      -2.456600       1.817600    
 H    5.486000     -0.8339000      0.9130000    
 H    4.182500     -0.3131000       2.020700    
 H   0.5935000      -2.935200      0.8713000    
 H    4.831500      0.9610000     -0.6813000    
 H    5.262300       1.637900      0.9169000    
 H  -0.2574000      0.7950000      -1.437100    
 H   -1.399800      -2.947000      0.4184000    
 H   -2.488100       1.683700     -0.9905000    
 H   -3.599400      -2.048800      0.8811000    
 H    3.934200       3.546900      0.4892000    
 H    3.541500       2.897200      -1.124100    
 H    1.117900       2.843200     -0.5007000    
 H    1.502000       3.467900       1.094100    
 H   -5.005500      0.7580000       2.638700    
 H   -4.563500       2.244700       1.890900    
 H    2.027500       4.848800      -1.453000    
 H   0.8029000       5.178700     -0.4279000    


%chk=000002144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002144

0 1
S -3.954178 1.574553 0.015114
O 4.173679 -1.116209 -0.255577
O 2.676903 1.082886 1.036273
O 0.219040 -3.733595 -1.490862
O -5.071347 1.390361 -1.154639
O -4.371091 1.691230 1.580532
N 1.738101 -2.235323 -0.550937
N -2.918274 3.112561 -0.259102
N -0.100003 3.545605 1.467676
C 2.918384 -3.079423 -0.777977
C 4.059554 -2.540759 0.093232
C -0.617257 -1.606354 -0.646421
C 4.697275 -0.223060 0.784434
C -2.629819 0.262534 -0.239769
C 4.063465 1.144248 0.557189
C 0.470464 -2.618999 -0.928862
C -1.745537 -1.582533 -1.504131
C -0.540216 -0.709302 0.451328
C -2.766415 -0.624610 -1.319444
C -1.565581 0.232371 0.673215
C 1.887734 2.291940 0.712257
C 0.901820 2.545946 1.866514
H 2.679037 -4.127299 -0.525764
H 3.215088 -3.055546 -1.845337
H 5.005574 -3.078270 -0.118752
H 3.810522 -2.649505 1.170241
H 5.802457 -0.154635 0.707862
H 4.426618 -0.593041 1.795575
H 1.949876 -1.263791 -0.289762
H 4.102085 1.388011 -0.525600
H 4.624681 1.924604 1.116751
H -1.800218 -2.317502 -2.313235
H 0.311309 -0.741862 1.139158
H -3.636154 -0.563828 -1.981357
H -1.536847 0.919266 1.523823
H 2.545914 3.174206 0.581271
H 1.338621 2.124961 -0.237658
H 0.483654 1.560662 2.180187
H 1.464541 2.928633 2.737215
H -3.416613 3.880448 0.228342
H -2.860793 3.292578 -1.278348
H -0.830634 3.234871 0.813829
H -0.471718 4.112668 2.231715


