%chk=000125805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125805

0 1
 S   0.8713000       1.271600      0.2891000    
 O   -1.891100      -2.161500      -1.690300    
 O    1.969700      -2.258700       1.105200    
 O   -1.527500       3.295800      7.9000004E-02
 O   -4.555600     -0.6529000      -1.300800    
 O   -5.852700     -5.5599999E-02  0.4604000    
 O    4.344300      0.3317000      0.4666000    
 O    6.239200     -0.8523000      0.8608000    
 N  -0.4368000      -1.679300      5.5500001E-02
 N    3.117000      -1.595600     -0.7992000    
 N   -3.673500       1.199100       1.589100    
 C   0.7103000      -1.336500     -0.7530000    
 C   -2.959300      -1.140200       1.474300    
 C   0.7306000      0.1451000      -1.137000    
 C   -2.680900      -2.357600      0.5902000    
 C   -3.428700      8.0700003E-02  0.6752000    
 C   -1.652300      -2.066600     -0.4895000    
 C    1.977200      -1.792900     -3.2499999E-02
 C   0.7729000       2.835200     -0.6102000    
 C  -0.6666000       3.132900      -1.041700    
 C   -4.741500     -0.1962000     -3.4899998E-02
 C    1.345200       3.928700      0.2497000    
 C    4.441000      -1.925800     -0.3259000    
 C    5.110300     -0.7814000      0.3906000    
 C    2.437800       4.632300     -7.0799999E-02
 H   0.6482000      -1.924400      -1.678500    
 H   -2.066300     -0.8791000       2.054900    
 H   -3.727400      -1.426500       2.205500    
 H    1.562200      0.3551000      -1.816800    
 H  -0.1957000      0.3709000      -1.673400    
 H   -2.302200      -3.180200       1.208600    
 H   -3.598000      -2.720200      0.1140000    
 H  -0.3291000      -1.645800       1.064700    
 H   -2.681200      0.4024000     -5.7399999E-02
 H    1.385700       2.739900      -1.514900    
 H    3.034000      -1.222300      -1.739600    
 H   -1.079200       2.351000      -1.685600    
 H  -0.6926000       4.067900      -1.614100    
 H   -2.814700       1.424000       2.090100    
 H   -3.913400       2.032300       1.052600    
 H   0.8393000       4.168200       1.182700    
 H    5.041400      -2.188000      -1.201500    
 H    4.379100      -2.777300      0.3581000    
 H   -2.414200       3.492300     -0.2682000    
 H    2.801100       5.412400      0.5891000    
 H    2.985900       4.445500     -0.9876000    
 H   -5.406900     -0.8429000      -1.749500    
 H    4.800900       1.061200      0.9374000    


%chk=000125805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125805

0 1
S 0.355202 1.397070 0.026942
O -1.614114 -1.767096 -2.147974
O 1.618191 -1.862320 1.507001
O -2.065721 3.353702 -1.083900
O -3.853603 1.404462 -0.247289
O -5.391896 -0.242790 0.317234
O 5.509454 -0.556032 -1.073361
O 6.720942 -0.961594 0.873041
N -0.452078 -1.755491 -0.145573
N 3.180707 -1.200231 -0.068506
N -3.319197 0.170617 2.703645
C 0.801078 -1.311209 -0.755035
C -3.047885 -1.845926 1.291005
C 0.716423 0.125308 -1.333886
C -2.829984 -2.448182 -0.119158
C -3.105231 -0.303265 1.323632
C -1.596252 -1.958991 -0.888068
C 1.897608 -1.476476 0.327657
C 0.410545 2.991572 -1.073825
C -0.890394 3.113821 -1.906859
C -4.235691 0.220341 0.421790
C 0.619787 4.178123 -0.168431
C 4.284633 -1.277310 0.889684
C 5.628887 -0.931359 0.276658
C 1.792340 4.848087 -0.039450
H 1.037018 -1.970563 -1.617900
H -2.257018 -2.152299 2.000886
H -4.000948 -2.247482 1.686971
H 1.670697 0.404699 -1.818248
H -0.092004 0.136886 -2.081593
H -2.761600 -3.550650 -0.030264
H -3.699370 -2.243832 -0.767386
H -0.395017 -1.953519 0.861690
H -2.152285 0.120123 0.962231
H 1.279541 2.852436 -1.744799
H 3.398480 -0.876273 -1.013195
H -1.017354 2.218152 -2.550999
H -0.803009 4.001964 -2.559516
H -3.084759 1.152447 2.870685
H -4.209995 -0.115480 3.121589
H -0.274230 4.505110 0.379834
H 4.355295 -2.290739 1.328836
H 4.110508 -0.596711 1.746349
H -2.347103 2.512985 -0.626828
H 1.880164 5.721191 0.616532
H 2.696919 4.544904 -0.582163
H -4.614861 1.771492 -0.774007
H 6.404383 -0.333271 -1.445179


