%chk=000121634.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121634

0 1
 S   0.1316000       3.135800     -0.1801000    
 S    1.962100     -0.7645000      0.2603000    
 O   -5.986400      -2.806100      8.4100001E-02
 O    5.703000      -1.626300     -0.1485000    
 O    3.948100      -2.857300      0.3446000    
 N   -3.286300     -0.2991000     -2.0500001E-02
 N  -0.6562000      0.7383000      0.3800000    
 N    4.463100      -1.739600      6.0800001E-02
 C   -3.079700      0.9544000      0.7039000    
 C   -4.567000     -0.8994000      0.3516000    
 C   -1.742000       1.569900      0.3897000    
 C   -3.229000     -7.0900001E-02  -1.463800    
 C   -4.739800      -2.253400     -0.3181000    
 C   0.4013000       1.462400      8.7899998E-02
 C   -1.539500       2.888900      0.1162000    
 C    1.702400      0.9074000     -7.1000000E-03
 C    2.873500       1.569900     -0.3051000    
 C    3.643400     -0.6047000     -2.2200000E-02
 C    3.997400      0.6943000     -0.3139000    
 H   -3.101500      0.7656000       1.785100    
 H   -3.882000       1.671800      0.4844000    
 H   -5.414100     -0.2472000      9.9200003E-02
 H   -4.614000      -1.047400       1.438500    
 H   -3.201800      -1.011500      -2.022000    
 H   -2.311800      0.4378000      -1.778600    
 H   -4.076600      0.5254000      -1.822600    
 H   -3.942900      -2.945400     -2.5699999E-02
 H   -4.776600      -2.188700      -1.408000    
 H   -2.250800       3.701400      7.2899997E-02
 H    2.956500       2.629500     -0.5118000    
 H    5.010200       1.014300     -0.5255000    
 H   -6.065500      -3.675700     -0.3440000    


%chk=000121634-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121634

0 1
S 0.173652 3.144396 -0.532982
S 1.965411 -0.918658 0.502487
O -5.387242 -3.244151 0.188870
O 5.866256 -1.727427 0.157769
O 4.064428 -2.989708 0.829385
N -3.623031 0.012169 -0.274689
N -0.650265 0.765651 0.387095
N 4.602890 -1.887290 0.401699
C -3.136004 1.010170 0.699601
C -4.573177 -0.987714 0.264113
C -1.788459 1.572070 0.300897
C -4.036015 0.601888 -1.560163
C -4.329896 -2.373470 -0.353498
C 0.458735 1.388701 0.004163
C -1.553266 2.863563 -0.160335
C 1.776823 0.807677 -0.009576
C 3.001432 1.386001 -0.378896
C 3.731437 -0.763340 0.183316
C 4.110301 0.498229 -0.270464
H -3.017311 0.509009 1.676675
H -3.850848 1.859504 0.842221
H -5.636751 -0.702376 0.089164
H -4.436817 -1.073250 1.356759
H -4.310504 -0.196330 -2.270343
H -3.200720 1.172122 -2.004255
H -4.913030 1.290486 -1.460543
H -3.317992 -2.727486 -0.071727
H -4.390341 -2.322506 -1.461341
H -2.275367 3.665038 -0.304568
H 3.091599 2.421692 -0.716260
H 5.144626 0.751113 -0.507725
H -5.231453 -4.175874 -0.105148


