%chk=000150123.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150123

0 1
 S    5.689600     -0.5207000     -0.9425000    
 O    6.991900     -9.5299996E-02  -1.420600    
 O    5.515500     -0.9623000      0.4270000    
 N  -0.6109000      0.3391000      0.9023000    
 N    1.621600       1.026100       2.530400    
 N   -4.330300     -0.5940000     -0.7899000    
 N    4.537700      0.6932000      -1.349200    
 C   -1.872200      2.2800000E-02  0.3286000    
 C   0.6765000      0.4315000      0.3573000    
 C   -2.672900       1.044400     -0.1922000    
 C   -2.301800      -1.307600      0.2893000    
 C    1.781000      0.7691000       1.150100    
 C   -3.911800      0.6857000     -0.7497000    
 C   -3.555100      -1.574300     -0.2870000    
 C    3.054300      0.8558000      0.5871000    
 C    3.233900      0.6059000     -0.7734000    
 C   0.8670000      0.1820000      -1.007700    
 C    2.140200      0.2690000      -1.570900    
 C   -2.266200       2.389900     -0.1662000    
 C   -1.517600      -2.354200      0.8050000    
 C   -4.713500       1.698400      -1.269700    
 C   -3.988300      -2.896900     -0.3289000    
 C    1.716900     -5.3199999E-02   3.491100    
 C    1.347300       2.369100       2.997400    
 C   -3.086300       3.383300     -0.6928000    
 C   -1.973700      -3.667900      0.7507000    
 C   -4.312400       3.036400      -1.245600    
 C   -3.211700      -3.939400      0.1826000    
 C    5.151500      -1.835800      -2.012700    
 H  -0.6681000      0.5226000       1.899400    
 H    3.903100       1.131200       1.209500    
 H   3.5500001E-02 -8.3200000E-02  -1.655700    
 H    2.268700      7.0600003E-02  -2.631800    
 H   -1.316000       2.696500      0.2632000    
 H  -0.5469000      -2.176600       1.260500    
 H   -5.678900       1.452100      -1.708400    
 H   -4.954900      -3.135300     -0.7691000    
 H    4.538600      0.9824000      -2.336700    
 H    1.115200     -0.9131000       3.176900    
 H    2.757300     -0.3794000       3.592900    
 H    1.359700      0.2488000       4.481200    
 H    1.466600       2.455600       4.082500    
 H    2.032600       3.089500       2.537200    
 H   0.3219000       2.660300       2.747000    
 H   -2.770500       4.421800     -0.6706000    
 H   -1.366700      -4.474300       1.150600    
 H   -4.960200       3.803900      -1.658900    
 H   -3.577200      -4.961000      0.1355000    
 H    5.159600      -1.480900      -3.045000    
 H    5.853200      -2.665800      -1.902900    
 H    4.152900      -2.158900      -1.714400    


%chk=000150123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000150123

0 1
S 5.798417 -0.238497 -1.058076
O 7.269597 0.161592 -1.634068
O 5.611767 -0.805477 0.463900
N -0.549560 0.072386 0.867628
N 1.519515 0.398051 2.577988
N -4.472190 -0.589196 -0.775036
N 4.523316 1.476329 -1.168118
C -1.820614 -0.123772 0.287382
C 0.640520 0.523145 0.285376
C -2.499331 0.907225 -0.441812
C -2.484992 -1.376518 0.506700
C 1.763202 0.663459 1.182569
C -3.823296 0.601302 -0.979113
C -3.829998 -1.546091 -0.032407
C 3.027343 0.975385 0.663353
C 3.222874 1.157620 -0.741271
C 0.824796 0.731445 -1.110311
C 2.100458 1.017149 -1.618078
C -1.980312 2.237731 -0.617033
C -1.880695 -2.477788 1.208140
C -4.516942 1.610562 -1.737028
C -4.523095 -2.784943 0.204258
C 2.665940 -0.141095 3.347216
C 0.812165 1.488200 3.309511
C -2.692365 3.195341 -1.334872
C -2.581204 -3.664895 1.414143
C -3.965722 2.874548 -1.918088
C -3.920256 -3.816413 0.917591
C 5.092591 -1.628439 -2.208572
H -0.364870 -0.345757 1.794615
H 3.896113 1.085440 1.316806
H -0.021967 0.614355 -1.791980
H 2.238629 1.138500 -2.700082
H -1.016322 2.503294 -0.174063
H -0.846636 -2.399427 1.562754
H -5.496378 1.338260 -2.141734
H -5.534191 -2.873068 -0.204612
H 4.572684 1.687829 -2.187946
H 3.173048 -0.926976 2.764738
H 3.418248 0.636125 3.609207
H 2.288456 -0.579821 4.287937
H 0.454965 1.106607 4.282436
H 1.480229 2.357885 3.495444
H -0.058272 1.836917 2.729576
H -2.283188 4.204718 -1.451639
H -2.104631 -4.495724 1.945626
H -4.506077 3.636235 -2.490626
H -4.457797 -4.754922 1.091321
H 5.248242 -1.291603 -3.242655
H 5.681518 -2.524587 -1.968138
H 4.031967 -1.745724 -1.946058


