%chk=000164035.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164035

0 1
 S   3.9099999E-02   1.867900      -1.048400    
 O    3.993000     -0.4357000      0.2192000    
 O    3.139000       1.496000     -0.6728000    
 N  -0.5165000     -0.5986000     -2.3100000E-02
 N   9.2000002E-03  -1.727700      0.5005000    
 C   -1.888400     -0.4941000     -0.1635000    
 C   0.4395000      0.3287000     -0.3566000    
 C    1.650800     -0.2310000     -3.0900000E-02
 C   -2.657500      3.6600001E-02  0.8721000    
 C   -4.041100      0.1422000      0.7300000    
 C   -2.502900     -0.9190000      -1.341500    
 C    1.324700      -1.496500      0.4924000    
 C   -4.655600     -0.2827000     -0.4479000    
 C   -3.886500     -0.8132000      -1.483700    
 C    2.944400      0.3621000     -0.1971000    
 C   -4.863900      0.7093000       1.837000    
 C    5.315300      9.6500002E-02  8.1000000E-02
 C  -0.1550000       2.881900      0.4441000    
 C    6.312600     -0.9226000      0.5893000    
 H   -2.181800      0.3667000       1.793300    
 H   -1.916500      -1.334700      -2.157500    
 H    1.985000      -2.264600      0.8696000    
 H   -5.732500     -0.2040000     -0.5720000    
 H   -4.364800      -1.143400      -2.401200    
 H   -4.439000      0.4532000       2.813500    
 H   -4.911700       1.799200       1.748700    
 H   -5.884400      0.3119000       1.817700    
 H    5.510900      0.3133000     -0.9748000    
 H    5.397900       1.020200      0.6642000    
 H   0.7707000       2.882600       1.026000    
 H  -0.9716000       2.508200       1.065600    
 H  -0.3835000       3.909800      0.1510000    
 H    7.335800     -0.5478000      0.4984000    
 H    6.116100      -1.163500       1.639300    
 H    6.227300      -1.858600      2.7400000E-02


%chk=000164035-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164035

0 1
S -0.023256 1.916447 -1.541974
O 3.862693 -0.358936 0.446241
O 3.295095 1.388409 -0.992479
N -0.662526 -0.252656 0.131196
N -0.139605 -1.224696 1.013749
C -2.087420 -0.212869 -0.052183
C 0.341095 0.545102 -0.421504
C 1.566807 0.050658 0.103779
C -2.913133 -0.485284 1.063551
C -4.321425 -0.470230 0.935687
C -2.651441 0.049988 -1.321842
C 1.197517 -1.018850 0.983307
C -4.884944 -0.181965 -0.335166
C -4.056716 0.074480 -1.449354
C 2.935100 0.457657 -0.221968
C -5.207314 -0.734068 2.141051
C 5.299361 -0.058442 0.176612
C 0.960497 3.336301 -0.766925
C 6.116181 -1.052869 0.995800
H -2.440789 -0.717786 2.022714
H -2.015896 0.202539 -2.198315
H 1.862897 -1.644826 1.572768
H -5.975102 -0.170216 -0.451765
H -4.503715 0.274355 -2.429034
H -4.744181 -1.459649 2.832359
H -5.386134 0.197012 2.713099
H -6.192893 -1.129045 1.838819
H 5.478729 -0.155719 -0.909588
H 5.498054 0.990607 0.462827
H 2.032414 3.123411 -0.875590
H 0.665303 3.453975 0.285892
H 0.666146 4.225128 -1.347219
H 7.194769 -0.877582 0.829369
H 5.908470 -0.941213 2.073832
H 5.883460 -2.090566 0.701555


