%chk=000094015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094015

0 1
 S   -2.530400      0.9190000      -1.608000    
 O    3.990300      -2.547600     -0.2020000    
 O    1.690800      -1.441000     -0.7348000    
 N    2.289400      0.6306000      0.2141000    
 N    2.223600       3.323800       1.118700    
 C    1.148600       1.417600      3.2299999E-02
 C    1.110100       2.740200      0.4738000    
 C   -1.111200       1.628200     -0.7958000    
 C   3.7900001E-02  0.8617000     -0.6026000    
 C  -3.9099999E-02   3.506800      0.2804000    
 C   -1.149700       2.950800     -0.3545000    
 C   -2.914500     -0.4414000     -0.5150000    
 C    2.488800     -0.7011000     -0.1674000    
 C    3.866700      -1.201500      0.2081000    
 C   -3.228700     -0.1913000      0.8185000    
 C   -2.898800      -1.746500      -1.000600    
 C   -3.529100      -1.253100       1.671700    
 C   -3.199200      -2.808300     -0.1473000    
 C   -3.514500      -2.561600       1.188800    
 C    5.268900      -3.085400      0.1215000    
 H   1.2200000E-02 -0.1516000     -0.9756000    
 H  -8.2900003E-02   4.538700      0.6195000    
 H   -2.036700       3.563500     -0.4959000    
 H    3.072300       1.079200      0.6794000    
 H    4.617000     -0.5815000     -0.2954000    
 H    3.986900      -1.123900       1.294500    
 H    2.167800       4.285100       1.429800    
 H    3.074000       2.806500       1.282500    
 H   -3.252700      0.8205000       1.215300    
 H   -2.654500      -1.957600      -2.038600    
 H   -3.776000      -1.061100       2.711900    
 H   -3.187500      -3.827200     -0.5231000    
 H   -3.748700      -3.388300       1.853100    
 H    6.058800      -2.524000     -0.3866000    
 H    5.301300      -4.123500     -0.2197000    
 H    5.428100      -3.066600       1.204000    


%chk=000094015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094015

0 1
S -2.174084 -0.941579 -1.801111
O 5.240011 -0.286110 0.594915
O 2.229028 -2.326349 0.683634
N 2.727932 -0.104260 0.044778
N 2.356742 2.653491 0.091804
C 1.456230 0.406821 -0.339221
C 1.303976 1.832228 -0.344209
C -0.823539 0.149750 -1.190196
C 0.382262 -0.425684 -0.733454
C 0.090101 2.386715 -0.829502
C -0.961725 1.555656 -1.262053
C -3.367396 -0.946672 -0.387802
C 3.040780 -1.372641 0.496716
C 4.541011 -1.562910 0.770195
C -3.031789 -0.493162 0.908321
C -4.662130 -1.460098 -0.650002
C -3.997152 -0.550353 1.939654
C -5.616819 -1.519503 0.389466
C -5.290856 -1.063085 1.688557
C 6.696099 -0.407572 0.680277
H 0.499081 -1.509955 -0.679779
H -0.032018 3.476287 -0.852057
H -1.892809 1.992904 -1.635175
H 3.552826 0.499349 -0.084859
H 4.660932 -1.946987 1.803749
H 4.931194 -2.328185 0.065758
H 2.247567 3.662668 0.023266
H 3.010865 2.315609 0.795910
H -2.029368 -0.103174 1.111984
H -4.923453 -1.805820 -1.656760
H -3.730811 -0.198144 2.942877
H -6.615974 -1.918126 0.179675
H -6.034051 -1.107133 2.492170
H 7.007893 -0.782743 1.676175
H 7.101314 0.604154 0.525482
H 7.087432 -1.087288 -0.104184


