%chk=000121633.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121633

0 1
 S  -0.1937000      -3.135000     -0.4850000    
 S   -2.096900      0.6480000      0.4230000    
 O   -5.804600       1.567900     -0.1354000    
 O   -4.107100       2.703000      0.6820000    
 N    3.145200      0.2269000      0.4729000    
 N   0.5212000     -0.8576000      0.5074000    
 N   -4.585800       1.645100      0.1856000    
 C    3.195100      0.2222000     -0.9959000    
 C    4.377500      0.7876000       1.044500    
 C    3.386500       1.636600      -1.546100    
 C    4.607800       2.220200      0.5610000    
 C    4.630900       2.294900     -0.9615000    
 C    2.914600      -1.125100      0.9813000    
 C    1.613400      -1.680900      0.4706000    
 C    1.446500      -2.940100     -2.3800001E-02
 C  -0.5023000      -1.525000      2.2700001E-02
 C   -1.798300     -0.9605000     -8.4700003E-02
 C   -2.935300      -1.566100     -0.5744000    
 C   -4.065100     -0.6989000     -0.5323000    
 C   -3.749500      0.5369000     -1.1900000E-02
 H    2.266900     -0.1562000      -1.437300    
 H    4.009200     -0.4217000      -1.355200    
 H    5.246200      0.1682000      0.7850000    
 H    4.305100      0.8049000       2.138800    
 H    2.504600       2.245500      -1.309600    
 H    3.467100       1.601500      -2.638600    
 H    5.553700       2.599500      0.9639000    
 H    3.812200       2.870400      0.9467000    
 H    5.526200       1.786200      -1.339400    
 H    4.692100       3.339300      -1.286300    
 H    2.852000      -1.105400       2.076900    
 H    3.742800      -1.795000      0.7145000    
 H    2.168000      -3.736300     -0.1394000    
 H   -2.990000      -2.579300     -0.9522000    
 H   -5.054700     -0.9803000     -0.8705000    


%chk=000121633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121633

0 1
S -0.260783 -2.955128 -1.004185
S -2.446077 0.605844 0.824191
O -6.378113 1.192346 0.395800
O -4.733738 2.376957 1.483488
N 3.269549 0.257571 0.271656
N 0.309521 -0.815540 0.506681
N -5.148851 1.377502 0.764708
C 3.823132 -0.001169 -1.079130
C 4.202405 1.038424 1.122161
C 4.162296 1.319264 -1.800602
C 4.547158 2.388708 0.462480
C 5.130047 2.175961 -0.953204
C 2.782678 -0.967826 0.945347
C 1.513501 -1.499902 0.320111
C 1.411295 -2.657041 -0.446483
C -0.720632 -1.400508 -0.093555
C -2.080456 -0.926481 -0.067847
C -3.228355 -1.483852 -0.653109
C -4.414411 -0.730657 -0.418496
C -4.171812 0.406745 0.348896
H 3.075568 -0.569391 -1.663123
H 4.748911 -0.635873 -1.014993
H 5.153074 0.469992 1.309279
H 3.718658 1.208067 2.102207
H 3.223509 1.880088 -1.971149
H 4.603238 1.091881 -2.790218
H 5.263873 2.936818 1.103683
H 3.623459 2.994666 0.394817
H 6.109991 1.659865 -0.876443
H 5.316647 3.149320 -1.444601
H 2.559131 -0.709719 1.997034
H 3.551142 -1.782288 0.957833
H 2.204270 -3.350949 -0.718833
H -3.210036 -2.410361 -1.232638
H -5.408291 -0.991931 -0.784461


