%chk=000089109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089109

1 1
 S  -0.2520000      -3.282500      -1.193500    
 O    3.154200     -0.9792000     -0.3497000    
 O    2.195200     -3.8699999E-02  -2.219000    
 N   -1.002400      -1.877100      0.7416000    
 N   -3.058000       1.366900     -0.9587000    
 N   -4.914600      0.6984000      0.4246000    
 N  -0.8964000      0.4715000     -0.5712000    
 N    2.260500       3.686100     -0.2237000    
 C   0.3447000      -2.065000      0.9567000    
 C   0.8951000      -2.818500     -2.3000000E-02
 C   -1.851600      -1.113500       1.624500    
 C    2.329300      -3.264600     -0.1817000    
 C   -1.479600      -2.449000     -0.3428000    
 C   -2.734400     -0.2035000      0.8152000    
 C   0.9526000      -1.457200       2.149700    
 C    3.155000      -2.262700     -0.9841000    
 C   -2.269400      0.5494000     -0.2307000    
 C   -4.068900     -9.8700002E-02   1.110100    
 C   -4.350700       1.392800     -0.5821000    
 C    2.645400      6.8099998E-02  -1.069500    
 C   -5.254200       2.285200      -1.363600    
 C    2.701600       1.311000     -0.3199000    
 C    3.223000       1.348200      0.9686000    
 C    2.237400       2.496700     -0.8661000    
 C    3.263600       2.552800       1.661700    
 C    2.774400       3.683100       1.026900    
 H   -1.299600     -0.4916000       2.333000    
 H   -2.446800      -1.828200       2.207200    
 H    2.377300      -4.249900     -0.6609000    
 H    2.772300      -3.382900      0.8146000    
 H   -2.513000      -2.434200     -0.6603000    
 H   0.4609000      -1.805000       3.064100    
 H    2.010300      -1.722300       2.243500    
 H   0.9034000     -0.3651000       2.110800    
 H    2.802900      -2.225900      -2.021100    
 H    4.196100      -2.602600      -1.016400    
 H   -4.526100     -0.6554000       1.921300    
 H  -0.6179000       1.015200      -1.380100    
 H  -0.2310000      0.4459000      0.1916000    
 H   -5.639600       1.748400      -2.235300    
 H   -6.100400       2.615700     -0.7531000    
 H   -4.717000       3.174500      -1.707800    
 H    3.607700      0.4634000       1.467400    
 H    1.816800       2.538600      -1.866100    
 H    3.665400       2.605900       2.667100    
 H    2.783400       4.647200       1.524500    


%chk=000089109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089109

1 1
S -0.206452 -3.336732 -1.251435
O 3.415612 -1.035192 -0.241966
O 1.378528 -0.134573 -0.945692
N -0.999388 -1.742686 0.617063
N -3.698546 1.390741 -1.271427
N -5.305793 0.369480 0.242181
N -1.416213 0.987572 -1.177152
N 2.494051 3.597676 0.802750
C 0.311834 -2.105060 1.029924
C 0.926195 -2.938094 0.110383
C -1.822944 -0.689696 1.350431
C 2.373560 -3.320037 -0.009611
C -1.415030 -2.304277 -0.531895
C -2.908745 -0.084499 0.509047
C 0.888291 -1.565443 2.307851
C 3.152821 -2.332711 -0.921827
C -2.658061 0.756829 -0.634109
C -4.267571 -0.235485 0.876421
C -4.967973 1.187655 -0.818717
C 2.500622 0.012838 -0.383147
C -6.088197 1.886674 -1.536394
C 2.997230 1.269217 0.226040
C 4.303961 1.394322 0.771415
C 2.135591 2.402244 0.263618
C 4.687328 2.631266 1.325866
C 3.756351 3.699134 1.323648
H -1.092161 0.071837 1.680096
H -2.246697 -1.172024 2.249357
H 2.486021 -4.333625 -0.437801
H 2.851772 -3.344025 0.985250
H -2.397773 -2.124548 -0.960885
H 0.207256 -1.735330 3.160315
H 1.840340 -2.065484 2.539355
H 1.093027 -0.480246 2.248036
H 2.616562 -2.144145 -1.868605
H 4.159525 -2.728321 -1.125688
H -4.534833 -0.863512 1.737942
H -1.401867 1.623100 -1.977272
H -0.536627 0.534479 -0.911590
H -6.452158 1.258322 -2.372057
H -6.934660 2.051393 -0.852789
H -5.740660 2.839400 -1.964669
H 4.991431 0.544790 0.747740
H 1.126432 2.347907 -0.160731
H 5.685069 2.775234 1.749445
H 4.017839 4.675335 1.745587


