%chk=000003075.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003075

1 1
 S   0.1160000       1.016200       1.807800    
 O   0.7921000      -2.445700     -0.1903000    
 O   -1.683200      -2.395400      0.6476000    
 O    6.420400      0.6598000      0.1306000    
 O  -0.6006000      -2.827300      -1.996800    
 N   -2.077100     -0.2382000     -0.1255000    
 N   -5.774400      0.2312000      0.4160000    
 C   -3.516200     -0.4730000     -0.2419000    
 C   0.2438000      -1.135600     -2.9700000E-02
 C   0.9626000     -0.4714000       1.151500    
 C   -4.325700      0.4827000      0.6147000    
 C   -1.252500      -1.317200      0.2287000    
 C   -1.595400       1.077500     -0.4369000    
 C  -0.5686000       1.702300      0.3022000    
 C    2.428300     -0.1669000      0.8772000    
 C   -6.173500      -1.179300      0.7744000    
 C   -6.641600       1.240800       1.127400    
 C   -2.191200       1.794000      -1.491800    
 C  -0.1442000       2.995600     -4.7100000E-02
 C    2.772400      0.7155000     -0.1425000    
 C    3.415800     -0.7738000       1.647600    
 C   -1.751700       3.073300      -1.835900    
 C  -0.7238000       3.671100      -1.118500    
 C    4.115900      0.9936000     -0.3941000    
 C    4.759300     -0.4957000       1.396000    
 C   0.2726000      -3.176400      -1.215500    
 C    5.109400      0.3881000      0.3752000    
 C   0.9032000      -4.518300      -1.302800    
 C    6.707800       1.572500     -0.9278000    
 H   -3.801900     -0.4244000      -1.298800    
 H   -3.714000      -1.504600      6.1099999E-02
 H   0.4064000     -0.5953000     -0.9701000    
 H   0.9302000      -1.181700       1.988900    
 H   -4.099300      0.3549000       1.680200    
 H   -4.153500       1.530500      0.3532000    
 H   -5.973500      0.3486000     -0.5869000    
 H   -5.793000      -1.860800      1.0800000E-02
 H   -7.266000      -1.234900      0.7702000    
 H   -5.783300      -1.415700       1.767900    
 H   -6.351300       2.237500      0.7850000    
 H   -6.485400       1.133500       2.204000    
 H   -7.682800       1.045200      0.8576000    
 H   -2.982300       1.363300      -2.098900    
 H   0.6345000       3.499800      0.5219000    
 H    2.023400       1.183200     -0.7721000    
 H    3.159500      -1.465000       2.445700    
 H   -2.213100       3.599900      -2.666300    
 H  -0.3845000       4.668800      -1.380400    
 H    4.317600       1.685300      -1.204900    
 H    5.528900     -0.9706000       1.998600    
 H   0.4699000      -5.077900      -2.136800    
 H    1.976900      -4.412500      -1.477700    
 H   0.7195000      -5.074300     -0.3799000    
 H    6.305000       2.569600     -0.7199000    
 H    7.796900       1.672600     -0.9815000    
 H    6.374400       1.183700      -1.896000    


%chk=000003075-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000003075

1 1
S -0.450484 1.385064 1.379194
O 0.399549 -2.272780 -0.358021
O -2.300233 -1.847459 0.333736
O 6.226082 0.476558 0.820604
O -0.643549 -2.445509 -2.429403
N -2.313654 0.174167 -0.800562
N -5.514740 -0.292963 1.108251
C -3.784727 0.134152 -0.738280
C -0.111013 -0.887950 -0.292990
C 0.540284 -0.273896 0.961023
C -4.297796 0.552078 0.675338
C -1.648934 -0.904449 -0.213799
C -1.644460 1.389477 -1.205807
C -0.751664 2.046223 -0.308566
C 2.023550 -0.056369 0.868879
C -5.079371 -1.643282 1.690335
C -6.406350 0.463974 2.084719
C -1.897545 1.940574 -2.484642
C -0.131144 3.253488 -0.707428
C 2.630470 0.567192 -0.250825
C 2.859102 -0.472909 1.941917
C -1.289504 3.156496 -2.863421
C -0.409704 3.816385 -1.973214
C 4.023966 0.767690 -0.312791
C 4.248545 -0.282649 1.897784
C 0.057094 -2.971897 -1.536873
C 4.840519 0.339005 0.767166
C 0.635702 -4.361339 -1.517078
C 6.905765 1.109031 -0.318068
H -4.189203 0.811235 -1.507174
H -4.103643 -0.899862 -0.970091
H 0.193080 -0.355026 -1.211624
H 0.280949 -0.898514 1.832992
H -3.511968 0.398042 1.432455
H -4.611079 1.609024 0.696509
H -6.074009 -0.486706 0.255335
H -4.255242 -2.048467 1.079311
H -5.949030 -2.317727 1.716097
H -4.708022 -1.464971 2.711106
H -6.809401 1.363387 1.594150
H -5.800369 0.753611 2.956110
H -7.229948 -0.191584 2.407155
H -2.541764 1.401236 -3.188102
H 0.563857 3.743584 -0.019009
H 2.016811 0.916547 -1.089987
H 2.413921 -0.960334 2.817477
H -1.485738 3.575811 -3.855264
H 0.068799 4.755695 -2.267591
H 4.460708 1.249859 -1.191917
H 4.898017 -0.607142 2.715767
H 0.489543 -4.840817 -2.495192
H 1.708847 -4.329211 -1.265670
H 0.134531 -4.961098 -0.736541
H 6.563040 2.151863 -0.458510
H 7.971945 1.101325 -0.051800
H 6.748714 0.530836 -1.248472


