%chk=000154664.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000154664

0 1
 S    2.427400       2.222400     -6.1299998E-02
 O    4.462600      -2.008100     -5.3199999E-02
 N   -3.020300     -0.1631000      0.2261000    
 N    1.946600     -0.3220000     -7.7999998E-03
 N    4.261800      0.3470000     -8.5699998E-02
 C   -1.756800      0.5044000     -0.1995000    
 C   -1.606800       1.889400      0.4977000    
 C  -0.5107000     -0.3661000      6.4400002E-02
 C   -3.055800      -1.555800     -0.2507000    
 C  -0.3552000       2.644200      1.9700000E-02
 C   -1.934400      -2.378600      0.3831000    
 C   0.7356000      0.3380000      1.1400000E-02
 C  -0.6155000      -1.676000      0.3449000    
 C   0.8017000       1.714000     -1.8000000E-03
 C   -4.212200      0.5376000     -0.2649000    
 C    2.911200      0.5726000     -5.0400000E-02
 C   -5.472200     -0.1061000      0.2266000    
 C   -6.421500     -0.6009000     -0.5760000    
 C    4.959100     -0.8867000     -8.5900001E-02
 C    6.455500     -0.7060000     -0.1367000    
 H   -1.798400      0.6719000      -1.286900    
 H   -1.551900       1.744700       1.585900    
 H   -2.463700       2.542300      0.3084000    
 H   -2.972200      -1.591700      -1.346100    
 H   -3.985800      -2.069800      1.4900000E-02
 H  -0.1689000       3.499100      0.6792000    
 H  -0.5258000       3.033000     -0.9915000    
 H   -1.850000      -3.334200     -0.1470000    
 H   -2.177000      -2.606900       1.428100    
 H   0.2649000      -2.275200      0.5604000    
 H   -4.205200      0.5998000      -1.361200    
 H   -4.245100       1.564400      0.1108000    
 H   -5.622900     -0.1602000       1.302200    
 H    4.824700       1.193600     -0.1170000    
 H   -7.315200      -1.050300     -0.1572000    
 H   -6.325200     -0.5686000      -1.655500    
 H    6.737500     -0.2633000      -1.095900    
 H    6.950500      -1.675000     -2.9100001E-02
 H    6.779200     -5.1100001E-02  0.6770000    


%chk=000154664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154664

0 1
S 2.463007 2.450524 -0.007872
O 4.390785 -1.904064 0.477941
N -3.018561 -0.238097 0.082844
N 1.993289 -0.203566 -0.090435
N 4.358458 0.375837 -0.129987
C -1.779849 0.523469 -0.245573
C -1.660306 1.828108 0.596068
C -0.520634 -0.321003 -0.018800
C -2.971959 -1.638945 -0.421061
C -0.461568 2.696371 0.124866
C -1.841508 -2.437665 0.247151
C 0.738049 0.437809 -0.029715
C -0.548292 -1.663428 0.211993
C 0.762913 1.828766 0.014826
C -4.254215 0.441095 -0.395722
C 2.986013 0.647033 -0.087563
C -5.497827 -0.105250 0.276297
C -6.635962 -0.465915 -0.366947
C 4.998502 -0.863632 0.131368
C 6.512513 -0.812072 -0.077641
H -1.787336 0.826778 -1.330406
H -1.533080 1.544841 1.656719
H -2.581848 2.432002 0.521015
H -2.827026 -1.657114 -1.532433
H -3.949930 -2.106513 -0.211366
H -0.300285 3.525270 0.839642
H -0.696218 3.165017 -0.853651
H -1.722461 -3.413412 -0.264685
H -2.112989 -2.665790 1.298536
H 0.400049 -2.187520 0.384147
H -4.364363 0.373132 -1.508354
H -4.175995 1.516728 -0.149139
H -5.431736 -0.179796 1.371703
H 4.966745 1.166259 -0.350799
H -7.517021 -0.819385 0.180090
H -6.719511 -0.414805 -1.460221
H 6.760242 -1.274794 -1.050316
H 6.997673 -1.413034 0.707756
H 6.931843 0.209463 -0.060777


