%chk=000005480.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005480

0 1
 S  -0.6726000      -2.620900      6.1500002E-02
 O   -3.769300       1.077100      0.4262000    
 O   -4.925900     -0.8096000     -0.1752000    
 N    1.291300      0.8659000     -0.5963000    
 N   -3.251800      -3.123600      0.5713000    
 C   0.2060000       1.553100      -1.326700    
 C   -1.165600       1.278600     -0.6750000    
 C    1.149400     -0.6064000     -0.6738000    
 C   -1.336400     -0.1722000     -0.3571000    
 C  -0.2506000      -1.023600     -0.3391000    
 C    2.599200       1.276300      -1.105400    
 C   -2.542100     -0.8542000     -2.3200000E-02
 C   -2.324300      -2.192600      0.2278000    
 C    3.725700      0.6623000     -0.3173000    
 C   -3.847200     -0.2452000      5.5000000E-02
 C    4.230900       1.332400      0.7881000    
 C    4.243300     -0.5648000     -0.7076000    
 C    5.274900      0.7638000       1.518000    
 C    5.287200      -1.133500      2.2200000E-02
 C    5.802900     -0.4691000       1.135000    
 C   -5.006700       1.789600      0.5385000    
 C   -4.718200       3.216600      0.9532000    
 H   0.1912000       1.230900      -2.376900    
 H   0.3691000       2.637900      -1.322500    
 H   -1.951400       1.623100      -1.356700    
 H   -1.241200       1.857500      0.2540000    
 H    1.805300      -1.091600      5.6499999E-02
 H    1.388400     -0.9764000      -1.679400    
 H    2.695300       2.369100      -1.049600    
 H    2.711800       1.024800      -2.169400    
 H    3.825900       2.292000       1.096500    
 H    3.863900      -1.087800      -1.580800    
 H   -4.236300      -2.901000      0.6780000    
 H   -2.994500      -4.091100      0.7374000    
 H    5.676300       1.280800       2.384600    
 H    5.700800      -2.091800     -0.2779000    
 H    6.616300     -0.9115000       1.702800    
 H   -5.520000       1.781000     -0.4292000    
 H   -5.638500       1.304800       1.290800    
 H   -5.643600       3.791600       1.047600    
 H   -4.187800       3.239500       1.910900    
 H   -4.069800       3.706900      0.2196000    


%chk=000005480-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005480

0 1
S -0.838820 -2.799136 -0.032645
O -3.863820 1.245127 0.365941
O -4.912798 -0.768390 0.892741
N 1.351847 0.677063 -0.723102
N -3.493196 -3.037086 0.753127
C 0.238020 1.465550 -1.309183
C -1.060446 1.289277 -0.494519
C 1.101757 -0.785014 -0.818890
C -1.330256 -0.179110 -0.226459
C -0.311243 -1.084818 -0.399750
C 2.678995 1.042148 -1.267098
C -2.587234 -0.784871 0.217608
C -2.491929 -2.192195 0.364072
C 3.838753 0.517956 -0.422972
C -3.858938 -0.147154 0.516609
C 3.751103 0.505672 0.992452
C 5.037746 0.083543 -1.038913
C 4.844402 0.074102 1.774613
C 6.136511 -0.344363 -0.257855
C 6.043408 -0.349490 1.152669
C -5.158330 1.921236 0.675038
C -4.940199 3.412600 0.437324
H 0.047673 1.172771 -2.374203
H 0.533014 2.531111 -1.307069
H -1.909489 1.741782 -1.035864
H -0.978341 1.830571 0.467152
H 1.829947 -1.306064 -0.168261
H 1.284504 -1.156152 -1.864018
H 2.723818 2.149618 -1.289770
H 2.812389 0.695411 -2.325157
H 2.812265 0.826097 1.458277
H 5.112521 0.078224 -2.134015
H -4.395795 -2.575218 0.953676
H -3.356440 -4.039636 0.847328
H 4.763704 0.067351 2.867818
H 7.058298 -0.677801 -0.748308
H 6.892215 -0.683670 1.760111
H -5.941590 1.497969 0.020344
H -5.430701 1.695605 1.721962
H -5.871982 3.966256 0.654617
H -4.142820 3.803717 1.092396
H -4.657225 3.608113 -0.611426


