%chk=000158901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158901

0 1
 S    1.268100     -0.3446000      -1.442200    
 O   0.7809000      -1.052400       1.054800    
 N  -0.8471000      -1.529800     -0.5402000    
 C   -3.628200     -0.4439000     -0.1763000    
 C   -4.658500      0.4997000      0.4494000    
 C   -2.813000      -1.165600      0.9022000    
 C   -5.522600       1.225500     -0.5842000    
 C   -1.816200      -2.159500      0.3142000    
 C   -6.594600       2.110000      3.3399999E-02
 C   0.3627000      -1.033100     -9.5700003E-02
 C    2.751300      0.2129000     -0.6249000    
 C    3.846200     -0.6428000     -0.5080000    
 C    2.816000       1.504600     -0.1031000    
 C    5.006700     -0.2068000      0.1313000    
 C    3.976500       1.940800      0.5361000    
 C    5.071900       1.085100      0.6533000    
 H   -4.142200      -1.182200     -0.8035000    
 H   -2.964900      0.1332000     -0.8309000    
 H   -5.311400     -7.4199997E-02   1.118900    
 H   -4.142400       1.242100       1.070700    
 H   -3.491300      -1.704700       1.574400    
 H   -2.279300     -0.4241000       1.509600    
 H   -6.008300      0.4873000      -1.233600    
 H   -4.880400       1.839500      -1.226600    
 H   -2.336600      -2.915600     -0.2832000    
 H   -1.291500      -2.674800       1.126200    
 H   -7.280200       1.520000      0.6497000    
 H   -6.145600       2.884100      0.6637000    
 H   -7.178500       2.603500     -0.7497000    
 H   -1.063700      -1.441700      -1.528400    
 H    3.814000      -1.653200     -0.9083000    
 H    1.972200       2.185600     -0.1845000    
 H    5.859600     -0.8730000      0.2228000    
 H    4.027400       2.946600      0.9429000    
 H    5.975400       1.424600       1.151200    


%chk=000158901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158901

0 1
S 1.312827 0.226842 -1.132448
O 0.844571 -0.720971 1.473309
N -0.808736 -1.122052 -0.136362
C -3.835492 -0.371920 -0.084676
C -5.040507 0.514389 0.305422
C -2.971090 -0.780178 1.129157
C -5.908715 0.931120 -0.903644
C -1.800436 -1.727555 0.778467
C -7.112358 1.811322 -0.502787
C 0.401084 -0.641922 0.305418
C 3.026548 0.335181 -0.469487
C 4.078617 -0.163092 -1.273258
C 3.296160 0.950875 0.774253
C 5.415302 -0.032102 -0.831555
C 4.634765 1.058494 1.215483
C 5.695642 0.575013 0.414592
H -4.205504 -1.285140 -0.598044
H -3.211997 0.177135 -0.820668
H -5.672109 -0.027877 1.039878
H -4.673600 1.424830 0.823341
H -3.609271 -1.295275 1.876171
H -2.565926 0.123256 1.625219
H -6.271438 0.020544 -1.423218
H -5.277454 1.476069 -1.635041
H -2.187445 -2.651644 0.306399
H -1.254611 -2.015492 1.692831
H -7.774024 1.278392 0.205893
H -6.775256 2.742922 -0.010390
H -7.718217 2.094941 -1.382850
H -1.035404 -1.040934 -1.129241
H 3.853218 -0.650359 -2.227491
H 2.475462 1.325625 1.390611
H 6.230797 -0.413003 -1.456261
H 4.845487 1.526273 2.183485
H 6.731508 0.669392 0.758994


