%chk=000131847.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131847

0 1
 S    5.526500      -1.944000      0.1814000    
 O   0.4731000       3.437100      -1.037300    
 O    6.880400      -2.409800      0.4175000    
 O    4.457000      -2.294600       1.094700    
 N   -3.779100     -3.8699999E-02 -2.6100000E-02
 N   -3.871300       2.800700      0.2297000    
 N  -0.2486000       2.277700      0.8388000    
 N    5.574900     -0.2435000     -8.6300001E-02
 C   -2.579200       2.112100      0.1384000    
 C   -2.691700      0.6710000      0.6585000    
 C   -5.068800      0.6622000     -7.0200004E-02
 C   -4.879800       2.096800     -0.5600000    
 C   -1.537500       2.891900      0.9384000    
 C   -3.791200      -1.437900     -4.5000002E-02
 C   -4.357700      -2.144000      -1.124900    
 C   -3.236500      -2.182900       1.014700    
 C   0.6700000       2.603700     -0.1569000    
 C   -4.369100      -3.538800      -1.144400    
 C   -3.247700      -3.577600      0.9953000    
 C    1.954300       1.857000     -0.1387000    
 C   -3.814100      -4.255500     -8.4299996E-02
 C    2.643700       1.688500      -1.321500    
 C    2.416700       1.356700       1.060700    
 C    4.339400      0.4720000     -0.1043000    
 C    3.849900      0.9881000      -1.304200    
 C    3.622900      0.6563000       1.078100    
 C    5.063600      -2.504800      -1.442100    
 H   -2.266700       2.084100     -0.9151000    
 H   -2.877000      0.6704000       1.740900    
 H   -1.743700      0.1496000      0.4767000    
 H   -5.513900      0.6602000      0.9331000    
 H   -5.778500      0.1630000     -0.7399000    
 H   -5.832500       2.631800     -0.4812000    
 H   -4.595900       2.101400      -1.619800    
 H   -3.775900       3.754100     -0.1193000    
 H   -1.468100       3.924700      0.5768000    
 H   -1.800000       2.928300       2.002200    
 H  -4.8900001E-02   1.534700       1.499500    
 H   -4.784800      -1.606500      -1.968600    
 H   -2.797700      -1.689700       1.878400    
 H   -4.807500      -4.066700      -1.986200    
 H   -2.818100      -4.136100       1.821800    
 H   -3.822900      -5.341400     -9.9399999E-02
 H    2.273600       2.079200      -2.264700    
 H    1.909100       1.510300       2.007100    
 H    4.398800      0.8486000      -2.232000    
 H    4.001900      0.2776000       2.023900    
 H    6.246700      6.6799998E-02 -0.8013000    
 H    5.797300      -2.145000      -2.165800    
 H    4.063300      -2.139200      -1.679300    
 H    5.061500      -3.597200      -1.431400    


%chk=000131847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131847

0 1
S 7.061296 -0.518920 0.209296
O 0.366805 3.056093 -0.853339
O 8.212490 0.337379 -0.568090
O 6.462932 -0.034537 1.642506
N -4.329095 0.113339 -0.081866
N -3.773756 2.874520 0.445800
N -0.224332 1.659479 0.899671
N 5.498729 -0.912725 -1.032078
C -2.651304 1.926451 0.266641
C -3.118339 0.506493 0.661347
C -5.427567 1.102197 0.041892
C -4.947661 2.501585 -0.375983
C -1.472694 2.392645 1.155976
C -4.631213 -1.262454 -0.254147
C -5.705057 -1.672121 -1.104159
C -3.861198 -2.287841 0.375432
C 0.641211 2.060830 -0.106974
C -5.986963 -3.035884 -1.311683
C -4.146383 -3.651971 0.150283
C 1.913293 1.272128 -0.281336
C -5.210619 -4.043936 -0.690938
C 2.663339 1.516833 -1.462025
C 2.408749 0.330811 0.662264
C 4.339438 -0.137276 -0.772512
C 3.869371 0.840427 -1.699021
C 3.599806 -0.374856 0.421020
C 7.683866 -2.304658 0.402525
H -2.297802 1.890180 -0.791720
H -3.293762 0.484177 1.765078
H -2.304654 -0.198545 0.418096
H -5.781939 1.147831 1.097231
H -6.277673 0.802295 -0.588955
H -5.757592 3.232463 -0.198855
H -4.717473 2.485897 -1.468706
H -3.477103 3.845980 0.276530
H -1.273860 3.459720 0.946546
H -1.748751 2.289623 2.221117
H -0.019646 0.827423 1.451465
H -6.303264 -0.923563 -1.633398
H -3.052847 -2.029330 1.065448
H -6.813184 -3.313304 -1.976917
H -3.536632 -4.412854 0.652024
H -5.431561 -5.103020 -0.858948
H 2.280696 2.263558 -2.164771
H 1.887967 0.148626 1.609666
H 4.451455 1.051893 -2.604701
H 3.972301 -1.103598 1.145751
H 5.923908 -0.663518 -1.949796
H 7.984085 -2.643566 -0.597753
H 6.840135 -2.880516 0.802622
H 8.532258 -2.249185 1.098844


