%chk=000102379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102379

1 1
 S   -1.768700      -3.210500     -0.3676000    
 S    4.376700      0.6162000     -0.5381000    
 O    5.432300       1.380800      0.4426000    
 O    3.785700       1.590100      -1.437600    
 O    4.998300     -0.5976000      -1.035700    
 N  -0.2852000      -1.397500      0.5194000    
 C   0.9014000     -0.8262000       1.112300    
 C   -1.424900     -0.7315000      0.1152000    
 C    1.940400     -0.4197000      7.1099997E-02
 C   -2.377600      -1.594800     -0.4135000    
 C   -1.677700      0.6634000      0.1927000    
 C  -0.3009000      -2.699300      0.3370000    
 C    3.190500      0.1825000      0.6952000    
 C   -2.923100       1.145900     -0.2823000    
 C   -3.609700      -1.123900     -0.8838000    
 C   -3.863800      0.2502000     -0.8098000    
 C   0.7763000      -3.646100      0.6750000    
 C  -0.7304000       1.563200      0.7232000    
 C   -3.184800       2.523300     -0.2119000    
 C   -1.016100       2.926600      0.7812000    
 C   -2.238700       3.404800      0.3155000    
 H    1.391800      -1.584000       1.739200    
 H   0.6717000     -0.1157000       1.906200    
 H    1.500100      0.2937000     -0.6353000    
 H    2.220000      -1.286300     -0.5389000    
 H    3.668300     -0.5231000       1.381900    
 H    2.935300       1.095600       1.242800    
 H   -4.352700      -1.799400      -1.296400    
 H   -4.822000      0.6159000      -1.176000    
 H   0.8979000      -3.729400       1.760000    
 H   0.5572000      -4.654700      0.3060000    
 H    1.732400      -3.357800      0.2307000    
 H   0.2744000       1.361500       1.025700    
 H   -4.130800       2.925100     -0.5695000    
 H  -0.2776000       3.622200       1.170100    
 H   -2.455600       4.468400      0.3577000    
 H    5.135500       2.256700      0.7849000    


%chk=000102379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102379

1 1
S -1.766764 -3.299311 -0.465776
S 4.455761 0.762824 -0.514384
O 5.833907 0.818471 0.712357
O 4.173745 2.225019 -1.138724
O 4.586651 -0.528098 -1.481317
N -0.249196 -1.437484 0.552015
C 0.951525 -0.831693 1.208933
C -1.412439 -0.710213 0.124583
C 1.933780 -0.254820 0.159932
C -2.362455 -1.595695 -0.442057
C -1.709209 0.709127 0.212176
C -0.269395 -2.776152 0.308061
C 3.158037 0.354022 0.851803
C -3.024876 1.111557 -0.271754
C -3.632082 -1.191713 -0.924364
C -3.947887 0.157452 -0.821454
C 0.813002 -3.749292 0.651675
C -0.845535 1.744577 0.701882
C -3.412966 2.488314 -0.215901
C -1.256653 3.081780 0.737985
C -2.550656 3.464250 0.283906
H 1.446347 -1.622597 1.794623
H 0.599715 -0.078871 1.929767
H 1.431441 0.501516 -0.469106
H 2.266879 -1.067190 -0.514192
H 3.700449 -0.344227 1.508143
H 2.991597 1.321518 1.349702
H -4.331908 -1.913279 -1.352965
H -4.920791 0.515876 -1.172868
H 0.913493 -3.877439 1.746712
H 0.585454 -4.740150 0.228556
H 1.793783 -3.436379 0.250527
H 0.164260 1.533258 1.049433
H -4.407219 2.764759 -0.582720
H -0.567634 3.844578 1.113924
H -2.856967 4.513528 0.319124
H 6.670707 1.130778 0.260962


