%chk=000135522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135522

0 1
 S   -5.552400      0.1610000      0.7677000    
 O   -4.807500     -3.2200001E-02 -0.6853000    
 O   -7.139100      6.0000001E-03  0.4168000    
 O   -5.178900     -0.9375000       1.639600    
 O   -5.335200       1.530900       1.195300    
 N    6.800000     -0.1797000      0.1167000    
 N    1.205700     -3.7799999E-02  0.2896000    
 N   0.7373000     -0.1686000     -0.8657000    
 C    5.390600     -0.1437000      0.1601000    
 C    2.603000     -7.2600000E-02  0.2461000    
 C    4.719600       1.072900      3.5399999E-02
 C    4.667600      -1.324800      0.3278000    
 C  -0.6670000     -0.1338000     -0.8214000    
 C    3.325900       1.108400      7.8500003E-02
 C    3.273900      -1.289200      0.3707000    
 C   -3.447400     -6.5499999E-02 -0.7299000    
 C   -1.332200       1.081800     -0.9456000    
 C   -1.381500      -1.315700     -0.6519000    
 C   -2.725800       1.116200     -0.8995000    
 C   -2.775200      -1.281500     -0.6060000    
 C    7.618600      0.9055000      0.5610000    
 H    5.253300       2.008500     -0.1044000    
 H    5.178200      -2.279400      0.4267000    
 H    2.811800       2.061000     -2.0600000E-02
 H    2.719400      -2.214700      0.5026000    
 H  -0.7778000       2.007000      -1.078900    
 H  -0.8657000      -2.267300     -0.5554000    
 H   -3.242900       2.066700     -0.9987000    
 H   -3.330900      -2.206200     -0.4757000    
 H    7.222600      -1.102000      8.5600004E-02
 H    7.344200       1.228400       1.570700    
 H    7.557600       1.759900     -0.1204000    
 H    8.666400      0.5890000      0.5888000    
 H   -7.448500      0.5168000     -0.3678000    


%chk=000135522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135522

0 1
S -5.912114 -1.590169 0.013038
O -4.884621 0.485684 -0.722010
O -7.150714 -0.365122 0.665382
O -6.818220 -2.787812 -0.613317
O -4.893049 -1.996264 1.231084
N 6.871483 -0.091331 0.684756
N 1.328271 0.856998 0.475300
N 0.673665 0.682962 -0.663782
C 5.513512 0.134860 0.588210
C 2.704798 0.611643 0.433142
C 4.786396 -0.168079 -0.615039
C 4.803216 0.684913 1.709464
C -0.716914 0.651580 -0.594365
C 3.413936 0.065256 -0.687884
C 3.431464 0.915935 1.629144
C -3.566146 0.510760 -0.681451
C -1.464060 0.443182 0.620374
C -1.408839 0.759397 -1.852604
C -2.850454 0.378351 0.581676
C -2.794018 0.680255 -1.901506
C 7.701810 -0.654192 -0.384467
H 5.312375 -0.582679 -1.479963
H 5.348844 0.919978 2.631143
H 2.850989 -0.158080 -1.599477
H 2.875458 1.330490 2.475878
H -0.911978 0.338768 1.559151
H -0.806429 0.898303 -2.756211
H -3.444762 0.210026 1.484799
H -3.346589 0.756646 -2.843296
H 7.328021 0.151327 1.564597
H 7.699293 -0.009423 -1.284139
H 7.355706 -1.663639 -0.677346
H 8.740058 -0.739082 -0.027525
H -6.682686 0.506358 0.489746


