%chk=000082178.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082178

0 1
 S    5.448600     -0.6504000      0.1437000    
 O    6.071200     -0.2388000      -1.310900    
 O    5.938100      0.3254000       1.106400    
 O    5.677700      -2.072400      0.3469000    
 N   -2.407500       1.522900     -0.2228000    
 C   0.9494000     -7.8800000E-02 -0.2760000    
 C    1.760200      0.9937000      0.1659000    
 C   -1.014100       1.345700     -9.3099996E-02
 C  -0.4362000      0.1136000     -0.4002000    
 C    3.145700      0.8014000      0.2901000    
 C    3.723700     -0.4308000     -1.7200001E-02
 C    1.161400       2.226900      0.4706000    
 C    1.548200      -1.312000     -0.5809000    
 C  -0.2169000       2.400400      0.3415000    
 C    2.926500      -1.485300     -0.4518000    
 C   -3.497200      0.6401000     -9.4899997E-02
 C   -4.660500      0.8518000     -0.8368000    
 C   -3.416200     -0.4491000      0.7744000    
 C   -5.656900      -1.111000      0.1591000    
 C   -5.739400     -2.3000000E-02 -0.7100000    
 C   -4.495300      -1.323900      0.9013000    
 C   -6.810500      -2.046200      0.2949000    
 H   -1.051300     -0.7079000     -0.7627000    
 H    3.769600       1.628600      0.6227000    
 H    1.765000       3.065200      0.8123000    
 H   0.9447000      -2.149900     -0.9240000    
 H  -0.6560000       3.364600      0.5847000    
 H    3.354900      -2.451200     -0.7044000    
 H   -2.677500       2.474700     -0.4550000    
 H   -4.737000       1.695700      -1.517900    
 H   -2.533100     -0.6273000       1.381900    
 H   -6.639600      0.1545000      -1.292300    
 H   -4.421500      -2.164200       1.586600    
 H   -7.378500      -2.111400     -0.6394000    
 H   -6.471400      -3.059800      0.5346000    
 H   -7.480500      -1.703300       1.089500    
 H    5.917100      0.6951000      -1.587700    


%chk=000082178-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082178

0 1
S 5.591545 -0.471199 0.074874
O 5.909005 -0.283612 -1.753986
O 6.240546 0.798889 0.841343
O 6.008115 -1.980262 0.490973
N -2.466018 1.549211 0.014121
C 0.948946 -0.058842 -0.105144
C 1.778383 1.102173 0.163992
C -1.081983 1.330005 0.065040
C -0.469932 0.079106 -0.151744
C 3.197783 0.963210 0.206021
C 3.742815 -0.296986 -0.011353
C 1.135372 2.368698 0.368587
C 1.586777 -1.329605 -0.325058
C -0.247332 2.480516 0.324101
C 2.974288 -1.461256 -0.284024
C -3.531226 0.606651 0.011998
C -4.739352 0.955258 -0.649744
C -3.464737 -0.635417 0.697903
C -5.787688 -1.167849 0.038816
C -5.845785 0.083156 -0.628208
C -4.576223 -1.503252 0.696184
C -6.989070 -2.096031 0.076481
H -1.075527 -0.797997 -0.395044
H 3.842400 1.823761 0.416044
H 1.750784 3.252897 0.568577
H 0.964812 -2.208002 -0.529651
H -0.724256 3.453672 0.495655
H 3.469726 -2.424506 -0.436129
H -2.751654 2.526201 -0.074913
H -4.803191 1.905605 -1.194459
H -2.566844 -0.907227 1.260031
H -6.766198 0.374342 -1.148556
H -4.503763 -2.456594 1.233794
H -7.619710 -1.978807 -0.822406
H -6.682273 -3.154800 0.140810
H -7.629084 -1.886397 0.955875
H 6.885451 -0.451112 -1.901702


