%chk=000226568.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226568

0 1
 S   -1.280100      0.1333000       1.546900    
 O  -0.7868000     -0.1191000      -2.258700    
 N   -2.226700      0.8628000     -0.7582000    
 N   -3.394800       1.691100       1.141800    
 C  -0.4068000     -0.5533000      8.8900000E-02
 C  -0.5431000      -2.070100      6.1099999E-02
 C    1.026100     -0.1385000      0.1079000    
 C   -1.143800      7.6899998E-02  -1.099500    
 C   -1.998500      -2.497600      8.6000003E-03
 C    1.399100       1.104100     -0.4042000    
 C    1.992500     -0.9933000      0.6374000    
 C   -2.413800      0.9803000      0.5170000    
 C    2.738900       1.491900     -0.3868000    
 C    3.332200     -0.6056000      0.6550000    
 C    3.705500      0.6371000      0.1428000    
 H  -0.1254000      -2.554500      0.9509000    
 H  -2.8600000E-02  -2.491300     -0.8130000    
 H   -2.559100      -2.244900      0.9127000    
 H   -2.528100      -2.095400     -0.8600000    
 H   -2.044400      -3.589700     -8.1200004E-02
 H   0.6753000       1.807800     -0.8049000    
 H    1.769700      -1.960300       1.071100    
 H    3.029200       2.461700     -0.7805000    
 H    4.085100      -1.268200       1.072200    
 H    4.748300      0.9399000      0.1586000    
 H   -4.088900       2.208400      0.6135000    
 H   -3.459900       1.723200       2.153300    


%chk=000226568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226568

0 1
S -1.295481 0.158235 1.682349
O -0.844630 -0.357695 -2.267603
N -2.230222 0.868223 -0.798707
N -3.369056 1.857909 1.010302
C -0.405916 -0.625308 0.134167
C -0.617874 -2.162847 0.134884
C 1.059550 -0.179462 0.138375
C -1.178274 -0.013298 -1.109197
C -2.087691 -2.615218 0.037487
C 1.378844 1.165368 -0.190075
C 2.116090 -1.063388 0.470295
C -2.402393 1.042797 0.503920
C 2.713914 1.614683 -0.186460
C 3.456598 -0.614000 0.476428
C 3.761828 0.725191 0.150393
H -0.158171 -2.595978 1.042540
H -0.056771 -2.548836 -0.738457
H -2.683269 -2.237115 0.887556
H -2.555430 -2.266006 -0.899873
H -2.142928 -3.718390 0.046905
H 0.575566 1.863133 -0.455696
H 1.907989 -2.108262 0.718945
H 2.939269 2.654108 -0.449357
H 4.260944 -1.312385 0.733526
H 4.801205 1.071779 0.153345
H -3.979368 2.345281 0.354645
H -3.491224 1.988182 2.012063


