%chk=000127083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127083

0 1
 S   0.6067000      -3.502000      0.3481000    
 S   -1.019900       1.418100       1.159200    
 O   -5.365700      5.8200002E-02 -0.5239000    
 O   -5.421500       2.226500      0.2187000    
 N   0.8532000     -0.9392000      0.2412000    
 N    1.678400      0.1186000      9.9299997E-02
 N    2.862900      -1.859600      2.6900001E-02
 N   -2.756000     -0.1876000      0.1151000    
 C  -0.5126000      -1.135700      0.4075000    
 C    1.592000      -2.089300      0.1887000    
 C    2.867500     -0.4894000     -2.2000000E-02
 C   -1.490400     -0.1026000      0.4967000    
 C  -0.8100000      -2.450000      0.4821000    
 C    4.089200      0.2451000     -0.1978000    
 C   -3.391700       1.014400      0.3586000    
 C    4.064000       1.638800     -0.2473000    
 C    5.300700     -0.4353000     -0.3188000    
 C   -2.613800       2.004500      0.9210000    
 C    5.250500       2.352300     -0.4179000    
 C    6.487200      0.2780000     -0.4893000    
 C   -4.779700       1.178600      3.0400001E-02
 C    6.462000       1.671800     -0.5389000    
 C   -6.750800      0.1531000     -0.8752000    
 C   -7.202200      -1.167400      -1.462100    
 H   -1.799000      -2.868700      0.6140000    
 H    3.139500       2.203400     -0.1564000    
 H    5.353900      -1.520500     -0.2843000    
 H   -2.887600       3.013200       1.197400    
 H    5.231300       3.437500     -0.4565000    
 H    7.430900     -0.2513000     -0.5835000    
 H    7.385800       2.227200     -0.6717000    
 H   -7.338100      0.3814000      2.0800000E-02
 H   -6.884800      0.9523000      -1.612400    
 H   -8.258600      -1.130100      -1.742300    
 H   -6.609700      -1.417800      -2.348300    
 H   -7.055500      -1.979200     -0.7421000    


%chk=000127083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127083

0 1
S 0.555410 -3.609208 -0.386508
S -0.837328 1.740532 -0.060652
O -5.520570 0.021327 -0.344356
O -5.461906 2.349600 -0.166472
N 0.889949 -1.006744 -0.206503
N 1.737057 0.093871 -0.114763
N 2.946890 -1.919686 -0.215289
N -2.744364 -0.141669 -0.255451
C -0.509255 -1.142332 -0.252368
C 1.634606 -2.183282 -0.264865
C 2.978265 -0.514318 -0.124049
C -1.425651 -0.018870 -0.203733
C -0.865277 -2.477185 -0.350015
C 4.229379 0.249077 -0.046054
C -3.391406 1.094219 -0.189264
C 4.209058 1.667554 0.042675
C 5.472969 -0.436460 -0.060356
C -2.552146 2.202478 -0.082927
C 5.418985 2.386616 0.115605
C 6.679787 0.289455 0.012929
C -4.871051 1.240477 -0.229205
C 6.658178 1.701631 0.101075
C -7.016329 0.089931 -0.393304
C -7.511955 -1.345263 -0.528491
H -1.877285 -2.869198 -0.402617
H 3.246801 2.189790 0.053148
H 5.471674 -1.528687 -0.128916
H -2.863015 3.243272 -0.019694
H 5.398387 3.479885 0.183489
H 7.636436 -0.244236 0.001418
H 7.597143 2.263505 0.157789
H -7.370550 0.579203 0.532073
H -7.305302 0.724570 -1.250630
H -8.616416 -1.356394 -0.569614
H -7.124096 -1.810165 -1.450691
H -7.188973 -1.955994 0.331588


