%chk=000041947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041947

0 1
 S   0.3153000      -1.934400      0.3572000    
 O    3.166000       1.863100      0.8664000    
 O    3.091400       1.410500      -1.366400    
 N   0.5545000      0.3942000     -0.9856000    
 C    1.930400      -1.084300      0.4233000    
 C    1.509900      0.3675000      0.1339000    
 C  -0.4092000     -0.7050000     -0.7774000    
 C    2.849300      -1.712600     -0.6329000    
 C    2.540400      -1.233800       1.817400    
 C   -1.774600     -0.2188000     -0.3386000    
 C    2.660100       1.253900     -0.2338000    
 C   -2.919300     -0.9412000     -0.6818000    
 C   -1.893300      0.9538000      0.4105000    
 C   -4.176900     -0.4931000     -0.2778000    
 C   -3.150900       1.401800      0.8148000    
 C   -4.292800      0.6783000      0.4707000    
 H    1.023200      0.8154000       1.010700    
 H  -0.5328000      -1.201700      -1.747800    
 H    1.062300      0.2051000      -1.850800    
 H    2.449500      -1.624400      -1.649200    
 H    3.835200      -1.234100     -0.6279000    
 H    3.015200      -2.778300     -0.4333000    
 H    2.719100      -2.286200       2.067400    
 H    3.505700     -0.7192000       1.879000    
 H    1.894300     -0.8100000       2.595000    
 H   -2.843700      -1.855900      -1.263900    
 H   -1.035500       1.549100      0.7023000    
 H    3.923100       2.446700      0.6466000    
 H   -5.066100      -1.056300     -0.5456000    
 H   -3.241700       2.313800       1.397700    
 H   -5.272000       1.027100      0.7855000    


%chk=000041947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041947

0 1
S 0.365081 -2.178941 -0.555977
O 3.114132 1.553482 1.174543
O 3.152936 1.658397 -1.145491
N 0.622382 0.469289 -1.252192
C 1.831459 -1.190752 0.220325
C 1.402840 0.336414 -0.015915
C -0.436325 -0.512544 -1.285334
C 3.121695 -1.571149 -0.537836
C 1.931720 -1.506098 1.725147
C -1.682037 -0.114589 -0.493595
C 2.615469 1.246594 -0.093890
C -2.626920 -1.084532 -0.075352
C -1.946335 1.255358 -0.241035
C -3.814234 -0.693520 0.580522
C -3.129223 1.646326 0.427180
C -4.069372 0.674489 0.837782
H 0.781816 0.631102 0.848489
H -0.698542 -0.758556 -2.328162
H 1.218699 0.508919 -2.088730
H 3.076492 -1.265338 -1.597740
H 4.008232 -1.097888 -0.071607
H 3.267327 -2.664377 -0.510428
H 2.194369 -2.566199 1.887294
H 2.714229 -0.879689 2.193511
H 0.972105 -1.310715 2.233678
H -2.418659 -2.147545 -0.241809
H -1.218600 1.999424 -0.581780
H 3.926224 2.122981 1.080251
H -4.535505 -1.454750 0.898812
H -3.317534 2.708511 0.621505
H -4.987821 0.976896 1.353435


