%chk=000131965.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131965

0 1
 S  -0.9219000      -2.915900      0.6591000    
 S    4.969300      -2.309900     -0.7802000    
 O   0.4401000     -0.2925000       2.385000    
 O    2.707900       2.488500     -0.5940000    
 O    4.542400       2.338900      0.7818000    
 O   -1.152700      -3.934400      -1.771000    
 N    1.452600      0.5223000      0.4642000    
 C  -0.9015000     -9.2900001E-02  0.3690000    
 C   -2.140000      0.1837000       1.249800    
 C    2.765700      0.7188000       1.026100    
 C   0.3835000      2.6300000E-02   1.199000    
 C  -0.9441000      -1.431300     -0.3961000    
 C   -3.344100      0.6704000      0.4808000    
 C    3.642400     -0.5281000      0.8511000    
 C   -3.556400       2.032300      0.2667000    
 C    3.931600     -0.8272000     -0.6201000    
 C   -4.251700     -0.2640000     -1.8400000E-02
 C    3.448600       1.930600      0.4045000    
 C   -4.676200       2.459800     -0.4468000    
 C   -2.599400       3.051400      0.7923000    
 C   -5.371400      0.1636000     -0.7319000    
 C   -5.583600       1.525400     -0.9461000    
 C   -1.067400      -4.166900     -0.5713000    
 C    3.281200       3.636700      -1.228100    
 C    3.686900      -3.555900     -0.5170000    
 C   -1.079300      -5.557600     -3.3000000E-03
 C    2.337500       4.128000      -2.305000    
 H  -0.8561000      0.6992000     -0.3922000    
 H   -2.420100     -0.7118000       1.819100    
 H   -1.892000      0.9109000       2.033000    
 H    2.645400      0.9357000       2.094300    
 H  -6.9399998E-02  -1.490900      -1.054500    
 H   -1.830900      -1.463100      -1.036600    
 H    1.318100      0.7397000     -0.5192000    
 H    3.137900      -1.377800       1.326000    
 H    4.588900     -0.3755000       1.386200    
 H    3.013800     -0.9624000      -1.200900    
 H    4.488700     -3.8999999E-03  -1.077900    
 H   -4.103000      -1.328100      0.1440000    
 H   -4.857600       3.517000     -0.6217000    
 H   -2.843100       4.055700      0.4275000    
 H   -1.575900       2.842100      0.4667000    
 H   -2.637900       3.087200       1.885700    
 H   -6.078600     -0.5638000      -1.119700    
 H   -6.455700       1.858200      -1.501300    
 H    3.436300       4.425500     -0.4837000    
 H    4.243500       3.363700      -1.675600    
 H    4.118800      -4.548000     -0.6749000    
 H    2.866900      -3.423200      -1.227900    
 H    3.300800      -3.513700      0.5039000    
 H  -0.1450000      -5.758200      0.5286000    
 H   -1.171500      -6.279800     -0.8203000    
 H   -1.933300      -5.686700      0.6674000    
 H    2.745200       5.007300      -2.811400    
 H    1.364000       4.386600      -1.875200    
 H    2.158400       3.343200      -3.047400    


%chk=000131965-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131965

0 1
S -0.746165 -1.837388 -1.071132
S 3.721399 -3.197634 0.997861
O 0.417845 0.785764 2.302966
O 3.111920 1.698247 -1.514034
O 4.912211 1.790676 -0.035212
O 1.144631 -0.729044 -2.729286
N 1.380421 0.805856 0.202485
C -1.114402 0.644366 0.378544
C -2.129352 0.007718 1.380745
C 2.732702 0.970467 0.764290
C 0.287652 0.726005 1.036723
C -1.187771 0.010895 -1.024688
C -3.581516 0.260856 1.004807
C 3.296855 -0.362841 1.360079
C -4.239146 1.481047 1.361588
C 3.379096 -1.472280 0.302046
C -4.303892 -0.722138 0.279954
C 3.709727 1.537848 -0.268936
C -5.586362 1.673238 0.963886
C -3.538529 2.552800 2.182191
C -5.646757 -0.518650 -0.108665
C -6.291300 0.690500 0.232472
C 0.697209 -1.797277 -2.248041
C 3.984704 2.140798 -2.648032
C 2.102926 -3.486802 1.923176
C 1.272180 -3.172610 -2.514410
C 3.114107 2.104808 -3.899549
H -1.422220 1.704385 0.230999
H -1.931386 -1.080080 1.429934
H -1.888682 0.414832 2.377744
H 2.671888 1.689052 1.604985
H -0.525183 0.488617 -1.769219
H -2.223686 0.067197 -1.394584
H 1.298560 0.776097 -0.818740
H 2.615890 -0.648087 2.180328
H 4.292235 -0.162035 1.793182
H 2.433449 -1.531290 -0.261271
H 4.205328 -1.297558 -0.409672
H -3.805095 -1.666758 0.026723
H -6.092421 2.606379 1.240554
H -4.201488 3.419466 2.345099
H -2.616418 2.922846 1.696136
H -3.235045 2.169154 3.174630
H -6.182795 -1.295673 -0.664966
H -7.333098 0.865105 -0.059118
H 4.365908 3.150403 -2.411820
H 4.843983 1.448649 -2.704692
H 2.099066 -4.549671 2.211380
H 1.245681 -3.277747 1.262066
H 2.046485 -2.860063 2.825981
H 2.073279 -3.387408 -1.778286
H 1.720751 -3.196351 -3.521198
H 0.507585 -3.960948 -2.423087
H 3.723702 2.360458 -4.785221
H 2.286940 2.831676 -3.827358
H 2.682998 1.099327 -4.040239


