%chk=000132109.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132109

0 1
 S    2.522200       1.856800      0.6489000    
 O   -2.992400      0.3582000     -0.9951000    
 N    1.627500     -0.8921000     -0.5384000    
 N   -4.927500      -1.213700      0.3457000    
 C   0.6214000      7.4299999E-02 -0.3835000    
 C   0.8887000       1.349600      0.1388000    
 C   -5.261400      5.3800002E-02 -0.2867000    
 C    2.988500     -0.7674000     -0.2187000    
 C   -4.060500      0.9863000     -0.2871000    
 C   -1.725500      0.6856000     -0.6231000    
 C  -0.6946000     -0.2433000     -0.7611000    
 C    3.520600      0.4140000      0.3217000    
 C  -0.1549000       2.278500      0.2744000    
 C   -1.455200       1.946900     -0.1049000    
 C    3.846200      -1.857400     -0.4456000    
 C    4.889300      0.4854000      0.6245000    
 C   -6.071400      -2.128200      0.3092000    
 C   -4.492200      -1.004000       1.728700    
 C    5.204900      -1.777700     -0.1419000    
 C    5.726300     -0.6058000      0.3939000    
 H   -6.109800      0.5449000      0.2066000    
 H   -5.548300     -0.1357000      -1.328800    
 H   -3.794500       1.278800      0.7353000    
 H   -4.331900       1.900700     -0.8293000    
 H    1.337500      -1.783400     -0.9245000    
 H  -0.9194000      -1.227800      -1.167400    
 H   3.3300001E-02   3.274100      0.6708000    
 H   -2.218400       2.713400     -8.2000000E-03
 H    3.455900      -2.783000     -0.8638000    
 H    5.321200       1.391700       1.044000    
 H   -5.800300      -3.101800      0.7323000    
 H   -6.931400      -1.736400      0.8647000    
 H   -6.383100      -2.313200     -0.7249000    
 H   -4.380200      -1.967200       2.241700    
 H   -5.204900     -0.4028000       2.304900    
 H   -3.502300     -0.5414000       1.783200    
 H    5.853300      -2.629700     -0.3235000    
 H    6.783700     -0.5393000      0.6321000    


%chk=000132109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132109

0 1
S 2.877901 2.106333 -0.026269
O -2.786303 0.002237 -0.461546
N 1.940885 -0.701285 -1.028406
N -5.388616 -1.131252 0.747303
C 0.896719 0.145211 -0.594408
C 1.168636 1.424714 -0.031756
C -5.196460 -0.043164 -0.233402
C 3.279885 -0.649508 -0.580930
C -3.934704 0.787698 0.019376
C -1.506502 0.541507 -0.273297
C -0.443143 -0.288388 -0.701525
C 3.834602 0.536202 -0.025224
C 0.109286 2.223740 0.428629
C -1.237594 1.805398 0.306036
C 4.099927 -1.804060 -0.680915
C 5.164052 0.550540 0.440719
C -6.120645 -2.289439 0.201783
C -5.944816 -0.666594 2.030580
C 5.443035 -1.775143 -0.248990
C 5.979831 -0.599823 0.322058
H -6.074432 0.654733 -0.260694
H -5.105744 -0.485814 -1.241826
H -3.809623 1.013731 1.097321
H -3.986308 1.744372 -0.542616
H 1.652561 -1.573365 -1.473866
H -0.684729 -1.276415 -1.108289
H 0.329003 3.200407 0.873383
H -2.038637 2.461981 0.653561
H 3.676992 -2.726039 -1.099754
H 5.567961 1.468256 0.882138
H -6.134376 -3.101917 0.950712
H -7.183106 -2.064135 -0.074766
H -5.602905 -2.666444 -0.697523
H -5.956941 -1.500667 2.754407
H -6.989647 -0.268854 1.941622
H -5.313940 0.133108 2.457737
H 6.061470 -2.673687 -0.347659
H 7.016824 -0.572480 0.671193


