%chk=000126624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126624

0 1
 S   -2.051600       1.854100      -1.566300    
 O   0.1980000       3.251100       1.230800    
 N  -1.9400001E-02   1.267700      9.8000001E-03
 N    3.579300      -1.207200      0.1489000    
 C  -0.8898000      0.6010000     -0.9624000    
 C    1.167500      0.6126000      0.4873000    
 C    2.385900      0.8965000     -0.3889000    
 C  -0.3979000       2.555500      0.4126000    
 C    3.682900      0.2463000      0.1011000    
 C   -1.664100       3.027900     -0.2578000    
 C   -1.639200     -0.5324000     -0.3499000    
 C   -1.998500      -1.633800      -1.127700    
 C   -1.981800     -0.4937000       1.002400    
 C    4.838000      -1.799000      0.6062000    
 C    3.214900      -1.741900      -1.164400    
 C   -2.699700      -2.694700     -0.5545000    
 C   -2.682900      -1.554800       1.575600    
 C   -3.041800      -2.655100      0.7971000    
 H  -0.2619000      0.2621000      -1.793900    
 H   0.9773000     -0.4625000      0.5628000    
 H    1.373900      0.9733000       1.502200    
 H    2.550200       1.983100     -0.4006000    
 H    2.177900      0.6431000      -1.434800    
 H    3.905300      0.6322000       1.104000    
 H    4.505600      0.5634000     -0.5534000    
 H   -2.473100       3.054800      0.4768000    
 H   -1.509800       4.023700     -0.6805000    
 H   -1.738000      -1.677300      -2.182000    
 H   -1.735400      0.3500000       1.639900    
 H    5.100800      -1.422700       1.601200    
 H    5.668800      -1.583100     -7.5400002E-02
 H    4.741100      -2.886500      0.6993000    
 H    3.263400      -2.837700      -1.154800    
 H    3.881000      -1.387100      -1.959500    
 H    2.179700      -1.508200      -1.431500    
 H   -2.979400      -3.551400      -1.160600    
 H   -2.952700      -1.523000       2.627100    
 H   -3.588500      -3.480700       1.243200    


%chk=000126624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126624

0 1
S -2.433932 2.068856 -1.185407
O 0.492668 3.446694 1.168022
N -0.089158 1.464808 0.060181
N 3.383386 -1.230833 0.085235
C -1.022580 0.780230 -0.842390
C 1.164298 0.782517 0.456783
C 2.290274 0.950875 -0.588192
C -0.301486 2.782129 0.439396
C 3.579058 0.220427 -0.154968
C -1.608726 3.367905 -0.101785
C -1.586362 -0.516676 -0.292869
C -1.715470 -1.639146 -1.145992
C -2.003053 -0.621464 1.058238
C 4.513004 -1.824669 0.829532
C 3.077552 -1.989228 -1.144087
C -2.260721 -2.850178 -0.661079
C -2.538975 -1.830730 1.545793
C -2.672522 -2.949005 0.686708
H -0.547742 0.595749 -1.824450
H 0.962605 -0.288051 0.627769
H 1.483367 1.233102 1.413991
H 2.522017 2.026367 -0.704214
H 1.952890 0.586116 -1.578029
H 3.936058 0.667951 0.793207
H 4.377119 0.407319 -0.921010
H -2.266959 3.640109 0.738578
H -1.383462 4.268922 -0.693694
H -1.392700 -1.565274 -2.192557
H -1.903920 0.246902 1.719739
H 4.651668 -1.288650 1.785321
H 5.482765 -1.790559 0.269719
H 4.291568 -2.882288 1.060005
H 2.922181 -3.052751 -0.890184
H 3.892487 -1.929227 -1.910885
H 2.145948 -1.618180 -1.605680
H -2.359341 -3.712166 -1.330160
H -2.855651 -1.905175 2.592103
H -3.092154 -3.887129 1.066711


