%chk=000022425.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022425

0 1
 S    4.003700      -2.154000       1.209700    
 O   -2.114600       1.599500     -1.3500000E-02
 O   0.6831000       1.545300      0.1691000    
 O    2.441300       2.595300     -0.8185000    
 N   -5.424400     -7.1000000E-03  0.1993000    
 N    2.637100      0.3301000     -0.1914000    
 N    4.741900       1.472600     -0.4126000    
 C   -6.381800       1.047600     -0.1626000    
 C   -5.876600      -1.321500     -0.2778000    
 C   -7.763800      0.7645000      0.4282000    
 C   -7.242100      -1.682000      0.3094000    
 C   -8.278200     -0.6065000      4.1000000E-03
 C   -4.097600      0.3020000     -0.3331000    
 C   -3.402400       1.343300      0.5292000    
 C   -1.410200       2.569900      0.7516000    
 C  -3.9000001E-02   2.782500      0.1396000    
 C    1.959800     -0.9471000     -0.2559000    
 C    4.076500      0.3480000     -2.6600000E-02
 C    2.475300      -2.117800      0.3207000    
 C    4.780000     -0.7226000      0.5272000    
 C    1.954900       1.565800     -0.3525000    
 C   0.7576000      -1.070900     -0.9868000    
 C    1.772800      -3.334300      0.2278000    
 C    6.175900     -0.6333000      0.6405000    
 C   6.6900000E-02  -2.282100      -1.083000    
 C   0.5701000      -3.414500     -0.4648000    
 C    6.847700      0.5016000      0.2169000    
 C    6.086500       1.525700     -0.2943000    
 H   -6.465000       1.142000      -1.253500    
 H   -6.060400       2.020900      0.2222000    
 H   -5.928800      -1.341300      -1.374400    
 H   -5.163400      -2.096200      2.9300001E-02
 H   -7.712500      0.8131000       1.523300    
 H   -8.469800       1.538700      0.1068000    
 H   -7.577200      -2.643600     -9.5799997E-02
 H   -7.153600      -1.806200       1.396200    
 H   -9.218100     -0.8320000      0.5197000    
 H   -8.493500     -0.6002000      -1.071500    
 H   -3.461300     -0.5939000     -0.3242000    
 H   -4.133100      0.6212000      -1.383200    
 H   -3.961400       2.284300      0.5517000    
 H   -3.297800      0.9736000       1.556700    
 H   -1.302400       2.202700       1.778900    
 H   -1.965700       3.514000      0.7589000    
 H  -0.1439000       3.099600     -0.9044000    
 H   0.5101000       3.541800      0.7068000    
 H   0.3379000     -0.2208000      -1.520600    
 H    2.162200      -4.239100      0.6912000    
 H    6.753800      -1.446900       1.074300    
 H  -0.8596000      -2.334100      -1.647400    
 H   3.9600000E-02  -4.359100     -0.5334000    
 H    7.924700      0.5831000      0.2998000    
 H    6.544100       2.448700     -0.6335000    


%chk=000022425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022425

0 1
S 4.585611 -1.290277 1.798809
O -2.160737 1.764212 0.290229
O 0.699215 1.464119 0.785216
O 2.553710 2.709420 0.093192
N -5.457374 0.112513 -0.361811
N 2.617816 0.345185 0.164124
N 4.110090 0.912324 -1.627344
C -6.519128 1.151541 -0.300116
C -5.809394 -0.953273 -1.336975
C -7.874463 0.540193 0.110995
C -7.139138 -1.635023 -0.956793
C -8.278227 -0.594896 -0.857057
C -4.112422 0.684110 -0.614653
C -3.497224 1.279463 0.659934
C -1.446862 2.357679 1.420756
C -0.050662 2.733151 0.957264
C 2.044328 -0.903017 0.623744
C 3.926953 0.290498 -0.436880
C 2.858981 -1.782656 1.381828
C 4.949571 -0.446342 0.214446
C 2.005836 1.607724 0.314552
C 0.725103 -1.296517 0.292896
C 2.362106 -3.024149 1.831411
C 6.227977 -0.502094 -0.378788
C 0.220046 -2.527757 0.761001
C 1.031909 -3.391843 1.532417
C 6.442821 0.194028 -1.589719
C 5.355148 0.879411 -2.179031
H -6.633420 1.660961 -1.295051
H -6.220933 1.926324 0.429485
H -5.896223 -0.538275 -2.376953
H -4.991169 -1.697361 -1.346857
H -7.786641 0.136958 1.138394
H -8.645668 1.334468 0.125767
H -7.382036 -2.411156 -1.708001
H -7.011876 -2.139591 0.020586
H -9.216200 -1.076164 -0.521319
H -8.474857 -0.168074 -1.862541
H -3.443192 -0.124506 -0.961680
H -4.119940 1.464919 -1.414167
H -4.108685 2.120380 1.055922
H -3.428497 0.497654 1.445689
H -1.388955 1.642740 2.269775
H -1.971524 3.276127 1.769972
H -0.078925 3.270960 -0.006334
H 0.466814 3.361473 1.705062
H 0.096645 -0.619213 -0.289740
H 3.011427 -3.694677 2.403601
H 7.032618 -1.071461 0.096961
H -0.807925 -2.814569 0.515415
H 0.639694 -4.350248 1.888369
H 7.423498 0.190042 -2.074612
H 5.469683 1.414863 -3.127591


