%chk=000068788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068788

0 1
 S   -4.255500     -0.1089000      0.1802000    
 O   -4.648800     -0.7488000       1.422400    
 O   -4.685000       1.249300     -0.1006000    
 N  -0.5826000       2.117000      0.2065000    
 N   -2.548500     -0.1756000      7.3299997E-02
 N    5.058300      0.2464000     -0.7688000    
 N   -4.732000      -1.128600      -1.139500    
 C   0.5238000     -0.1435000      0.2337000    
 C   0.7289000       1.432600      0.3232000    
 C  -0.4635000     -0.6125000       1.314200    
 C   -1.760500      0.1904000       1.282300    
 C    1.776800       1.957500     -0.7328000    
 C   -1.494300       1.695200       1.286400    
 C    1.856600     -0.8727000      0.2851000    
 C    2.973900     -0.1793000     -0.1969000    
 C    3.022400       1.140200     -0.6881000    
 C  -0.4681000       3.578200      0.2248000    
 C    4.239300     -0.7325000     -0.2492000    
 C    2.081900      -2.194700      0.6908000    
 C    4.328500       1.385600      -1.041200    
 C    4.478200      -2.039100      0.1739000    
 C    3.367300      -2.758600      0.6423000    
 C   -4.281700     -0.7118000      -2.496300    
 C   -4.515500      -2.585700     -0.9259000    
 H   9.6199997E-02 -0.3720000     -0.7533000    
 H    1.152900       1.652100       1.316700    
 H  -0.6958000      -1.676900       1.187200    
 H   3.0000001E-04 -0.5049000       2.303900    
 H   -2.332500     -7.7600002E-02   2.177800    
 H    2.037800       3.001700     -0.5274000    
 H    1.348600       1.903900      -1.741300    
 H   -2.450500       2.223500       1.187300    
 H   -1.076800       1.981600       2.261600    
 H   -2.143500      0.2141000     -0.7887000    
 H   -1.459900       4.045600      0.2116000    
 H   3.7700001E-02   3.948600     -0.6722000    
 H   6.7000002E-02   3.938800       1.110300    
 H    1.262400      -2.811700       1.048100    
 H    4.813100       2.257700      -1.457100    
 H    6.050600      0.1454000     -0.9314000    
 H    5.465800      -2.484100      0.1369000    
 H    3.505900      -3.786200      0.9717000    
 H   -4.449700      0.3588000      -2.642100    
 H   -4.869100      -1.239900      -3.254000    
 H   -3.222600     -0.9400000      -2.645100    
 H   -5.026000      -2.916100     -1.7100001E-02
 H   -3.448200      -2.813800     -0.8549000    
 H   -4.941900      -3.151900      -1.760300    


%chk=000068788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068788

0 1
S -4.250110 0.295945 -0.299435
O -4.785930 0.165642 1.230046
O -4.556811 1.598704 -1.217043
N -0.533862 2.069954 0.371404
N -2.372831 -0.000944 -0.299918
N 5.206117 0.353279 -0.643459
N -4.964798 -1.172249 -1.217162
C 0.592009 -0.153112 0.152124
C 0.798263 1.385393 0.429809
C -0.480441 -0.761643 1.084239
C -1.777948 0.075771 1.073085
C 1.815706 2.030618 -0.564126
C -1.442581 1.541561 1.423645
C 1.924530 -0.900326 0.208700
C 3.057155 -0.150979 -0.175501
C 3.097240 1.232510 -0.560275
C -0.487367 3.550627 0.381962
C 4.373721 -0.694742 -0.225221
C 2.149290 -2.245970 0.561357
C 4.430830 1.521430 -0.840413
C 4.599389 -2.048767 0.118375
C 3.468493 -2.800196 0.511617
C -4.526975 -1.161715 -2.635092
C -4.676519 -2.427372 -0.481750
H 0.206877 -0.221837 -0.889217
H 1.228356 1.482842 1.462379
H -0.711260 -1.795968 0.772957
H -0.097001 -0.799187 2.123875
H -2.509190 -0.332229 1.794038
H 2.009494 3.080993 -0.283072
H 1.351965 2.042407 -1.572646
H -2.367614 2.145406 1.436752
H -0.983036 1.593529 2.441219
H -1.994270 0.807770 -0.851857
H -1.521799 3.935095 0.379596
H 0.009269 3.932846 -0.524069
H 0.037291 3.968052 1.275132
H 1.321233 -2.890308 0.875894
H 4.902129 2.449727 -1.158802
H 6.212807 0.294991 -0.777970
H 5.593879 -2.507054 0.089979
H 3.606653 -3.851837 0.788458
H -4.668801 -0.149227 -3.046881
H -5.192968 -1.852915 -3.182384
H -3.473075 -1.484504 -2.774600
H -4.960214 -2.297783 0.575262
H -3.614405 -2.746385 -0.554228
H -5.321192 -3.211042 -0.918785


