%chk=000104758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104758

0 1
 S   0.4256000      -1.716100       1.215300    
 O    5.613200       3.551300      0.4650000    
 O    2.769500     -0.1454000       2.223300    
 O    4.103900       2.931400      -1.112400    
 O   -3.476900       2.239300      -1.529800    
 O    8.191700      -1.118800      -1.563400    
 O    8.252700      -1.005900      0.7018000    
 N   -1.579400      -2.953700     -0.1237000    
 N    3.474700      0.6671000      0.1938000    
 N   -6.488500      0.9689000      0.7910000    
 N   -5.367000       2.744800     -0.3360000    
 C   -2.680300      -2.830000      -1.054000    
 C    4.583200       1.419700      0.7360000    
 C   -3.681400      -1.836700     -0.5669000    
 C    5.871200      0.5926000      0.8294000    
 C  -0.4624000      -2.131000     -0.1889000    
 C   -4.502300      0.4286000     -0.4608000    
 C   -3.558700     -0.4934000     -0.9217000    
 C   -5.567200      1.6000001E-02  0.3520000    
 C    6.437000      8.4100001E-02 -0.5027000    
 C   -4.738500      -2.255400      0.2420000    
 C    1.524400     -0.7684000      0.3061000    
 C   -5.679600      -1.332300      0.7007000    
 C    2.591700     -0.1036000      0.9809000    
 C   -1.689400      -3.987600      0.9075000    
 C   6.8499997E-02  -1.558700      -1.324000    
 C    1.219400     -0.7694000      -1.037100    
 C    4.726300       2.683000     -8.7899998E-02
 C   -4.406600       1.872400     -0.8178000    
 C   -6.323400       2.281400      0.4151000    
 C    7.700300     -0.7363000     -0.3555000    
 C   -7.351700       3.262000      0.9228000    
 H   -3.171100      -3.801000      -1.205500    
 H   -2.343900      -2.556700      -2.061600    
 H    4.297400       1.738900       1.746000    
 H    6.644900       1.191300       1.327600    
 H    5.691400     -0.2708000       1.483600    
 H   -2.736100     -0.1728000      -1.554900    
 H    5.692700     -0.5451000      -1.003100    
 H    6.670000      0.9365000      -1.150400    
 H    3.350100      0.6941000     -0.8128000    
 H   -4.841600      -3.300100      0.5236000    
 H   -6.497700      -1.673100       1.330200    
 H   -2.435700      -4.744800      0.6429000    
 H   -1.991200      -3.545100       1.862800    
 H  -0.7389000      -4.516400       1.040700    
 H  -0.3245000      -1.691700      -2.323500    
 H    1.776300     -0.2413000      -1.800000    
 H   -7.257400      0.6693000       1.378600    
 H   -8.339400       2.976900      0.5494000    
 H   -7.121300       4.276600      0.5864000    
 H   -7.364200       3.242000       2.016300    
 H    5.693100       4.375800     -6.0400002E-02
 H    9.020500      -1.635700      -1.473500    


%chk=000104758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104758

0 1
S 0.992840 -1.960932 0.840647
O 7.115318 2.329168 2.210339
O 3.711742 -1.450467 2.032416
O 5.452094 2.928905 0.706347
O -7.635132 -1.624971 -2.193397
O 8.347368 -1.051523 -2.182636
O 8.531794 -2.164900 -0.153520
N -1.432704 -1.946649 -0.502699
N 4.274099 0.474025 0.851779
N -6.951467 1.357094 0.515005
N -8.483755 0.067341 -0.807135
C -2.391575 -1.516581 -1.540139
C 5.536368 0.615746 1.581701
C -3.597367 -0.760862 -0.980729
C 6.640795 -0.383636 1.116300
C -0.230879 -1.290567 -0.328159
C -6.024642 -0.363455 -0.908334
C -4.901954 -1.070397 -1.406403
C -5.817552 0.676581 0.041237
C 6.998436 -0.226095 -0.370863
C -3.414186 0.278515 -0.021262
C 2.121440 -0.589097 0.443150
C -4.508099 0.995359 0.487051
C 3.399401 -0.565376 1.161451
C -1.769525 -3.131611 0.303045
C 0.243728 -0.114821 -0.943726
C 1.551653 0.256709 -0.507872
C 5.990436 2.063094 1.436318
C -7.410547 -0.701303 -1.359614
C -8.233591 1.027103 0.071539
C 8.017011 -1.249453 -0.830472
C -9.367796 1.837637 0.654748
H -2.742438 -2.408688 -2.093387
H -1.850281 -0.893353 -2.274229
H 5.359350 0.405753 2.655530
H 7.534676 -0.240274 1.747794
H 6.257055 -1.398614 1.312938
H -5.098107 -1.866597 -2.134494
H 6.096189 -0.335706 -1.003245
H 7.407878 0.777768 -0.598884
H 3.999737 1.251765 0.245842
H -2.403524 0.512791 0.330970
H -4.353019 1.792574 1.223721
H -2.839308 -3.362795 0.177617
H -1.585354 -2.943345 1.377318
H -1.173601 -4.015297 -0.001983
H -0.323586 0.468606 -1.671389
H 2.054170 1.149785 -0.893720
H -6.835574 2.108766 1.197614
H -9.412543 1.737727 1.755649
H -10.311263 1.470984 0.228180
H -9.262526 2.912183 0.413386
H 7.390033 3.278361 2.089558
H 9.011688 -1.740277 -2.458400


