%chk=000121208.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121208

0 1
 S   0.8551000      -1.412700     -6.6000000E-03
 S   -1.632500      -3.126200     -0.1686000    
 O   -1.012900       1.806800      0.8920000    
 O   -3.137200      0.2515000      -1.640900    
 N    7.215900     -0.2188000     -0.3224000    
 N   -1.464800     -0.4463000      0.4255000    
 N   -2.829000     -0.3485000      0.5738000    
 N   -7.766100      0.3134000      0.1592000    
 C    5.859200      0.1116000     -0.1228000    
 C    3.195400      0.7591000      0.2689000    
 C   0.7456000      0.2631000      0.3828000    
 C    1.776600       1.103900      0.4772000    
 C    5.302500      3.2000002E-02   1.153600    
 C    5.074200      0.5173000      -1.201900    
 C    3.960700      0.3581000       1.351000    
 C    3.732500      0.8436000      -1.004700    
 C  -0.6644000      0.6708000      0.6045000    
 C  -0.8891000      -1.657200      9.8200001E-02
 C    8.184500     -1.4100000E-02  0.7362000    
 C    7.656400     -0.7805000      -1.583900    
 C   -3.583200      8.2999999E-03 -0.5223000    
 C   -5.046800      0.1149000     -0.2839000    
 C   -5.789500      0.9604000      -1.072900    
 C   -5.613800     -0.6350000      0.7184000    
 C   -7.148500       1.024200     -0.8109000    
 C   -6.980800     -0.4996000      0.9005000    
 H    1.609200       2.148700      0.7299000    
 H    3.537200      0.2903000       2.349500    
 H    3.131500       1.161600      -1.852600    
 H    5.882700     -0.2919000       2.013000    
 H    5.480000      0.6012000      -2.206100    
 H   -3.183100     -0.4899000       1.513300    
 H    8.024000      0.9415000       1.248100    
 H    9.205200      1.0200000E-02  0.3380000    
 H    8.136100     -0.8264000       1.468900    
 H    7.776200      4.8000002E-03  -2.337500    
 H    6.950800      -1.531400      -1.956800    
 H    8.624000      -1.283700      -1.476200    
 H   -5.357200       1.562000      -1.863900    
 H   -5.068900      -1.333600       1.341300    
 H   -7.796700       1.671200      -1.392700    
 H   -7.497800      -1.066000       1.668100    


%chk=000121208-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121208

0 1
S 0.615516 -1.708061 -0.926892
S -2.153992 -2.919558 -1.642599
O -0.998105 0.921726 1.556949
O -3.084323 1.128286 -1.263447
N 7.430545 0.022913 -0.295788
N -1.634783 -0.828844 0.090084
N -2.989814 -0.607574 0.299293
N -7.946096 0.647508 0.316707
C 6.061832 0.091567 -0.064190
C 3.208497 0.226852 0.412721
C 0.687823 -0.312529 0.262029
C 1.800043 0.369394 0.710392
C 5.504175 1.062881 0.834875
C 5.149662 -0.807334 -0.715752
C 4.125681 1.118381 1.056876
C 3.773003 -0.738188 -0.482025
C -0.661344 0.041020 0.726862
C -1.207828 -1.810762 -0.812301
C 8.344821 0.951822 0.387806
C 7.976257 -0.973782 -1.231442
C -3.666361 0.375278 -0.441159
C -5.142467 0.438718 -0.152054
C -5.799779 1.689509 -0.238396
C -5.914575 -0.711259 0.150352
C -7.188312 1.744998 0.009173
C -7.302021 -0.555873 0.372999
H 1.541309 1.167751 1.423911
H 3.729006 1.872552 1.747820
H 3.128955 -1.448866 -1.008902
H 6.153208 1.771917 1.355035
H 5.525494 -1.563386 -1.409989
H -3.433929 -1.113476 1.067784
H 8.130021 2.006297 0.123746
H 9.380783 0.731242 0.088722
H 8.278956 0.851143 1.489086
H 7.567120 -0.841695 -2.252373
H 7.755442 -2.008151 -0.901654
H 9.069752 -0.862132 -1.287651
H -5.230707 2.586926 -0.498018
H -5.469447 -1.712049 0.165525
H -7.728500 2.696690 -0.038689
H -7.932317 -1.423152 0.598875


