%chk=000168893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168893

0 1
 S   -4.617300      -1.473400     -0.5101000    
 O    8.244000     -0.5434000      -1.085300    
 N    2.237800       1.278800      0.3359000    
 N    4.875900      9.8300003E-02  0.2653000    
 N   -1.946200      0.1198000     -0.2919000    
 N  -0.6357000      -1.852100      0.1654000    
 C    2.536400      3.5500001E-02   1.057000    
 C    3.442500       2.110700      0.2274000    
 C    3.671200     -0.7336000      0.3717000    
 C    4.577700       1.341300     -0.4567000    
 C    1.157600       2.012800      0.9921000    
 C  -0.1535000       1.220600      0.9953000    
 C    5.957400     -0.6353000     -0.3892000    
 C  -0.6614000      0.8253000     -0.3909000    
 C    7.216700      0.2136000     -0.4588000    
 C   -3.132100      0.8930000     -0.2651000    
 C   -1.850400      -1.285400     -9.1799997E-02
 C   -4.400500      0.2855000     -0.3445000    
 C   -2.995000      -2.090400     -0.1441000    
 C   -3.108100       2.299800     -0.1356000    
 C   -5.575000       1.060200     -0.3163000    
 C   -2.869200      -3.471400      6.9499999E-02
 C   -4.278000       3.064500     -0.1042000    
 C   -5.513300       2.444100     -0.1975000    
 C  -0.5502000      -3.184900      0.3691000    
 C   -1.631100      -4.033900      0.3333000    
 H    2.808800      0.2425000       2.100900    
 H    1.677300     -0.6396000       1.070800    
 H    3.223000       3.004000     -0.3702000    
 H    3.771900       2.453000       1.218100    
 H    3.890500      -1.628000      0.9676000    
 H    3.340300      -1.074000     -0.6191000    
 H    4.313100       1.138500      -1.503100    
 H    5.429100       2.027900     -0.4527000    
 H   0.9785000       2.955300      0.4588000    
 H    1.424900       2.276300       2.023700    
 H  -7.5000003E-02  0.3430000       1.646600    
 H  -0.8992000       1.847900       1.498700    
 H    6.186000      -1.550900      0.1714000    
 H    5.675400     -0.9608000      -1.399600    
 H   7.9400003E-02  0.1974000     -0.9036000    
 H  -0.7321000       1.701600      -1.047500    
 H    7.098900       1.108800      -1.073000    
 H    7.557900      0.5028000      0.5408000    
 H   -2.180600       2.858800     -5.6400001E-02
 H    9.041000      1.3500000E-02  -1.101500    
 H   -6.554500      0.5907000     -0.3859000    
 H   -3.738800      -4.124200      2.9800000E-02
 H   -4.216800       4.144600     -7.0000002E-03
 H   -6.425300       3.032300     -0.1754000    
 H   0.4487000      -3.557700      0.5683000    
 H   -1.520400      -5.098400      0.5008000    


%chk=000168893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168893

0 1
S -4.509195 -1.505654 -1.098321
O 8.358887 -0.648919 -1.125148
N 2.238664 1.312690 0.408899
N 4.880899 0.179744 -0.027870
N -1.933125 0.117209 -0.252035
N -0.717828 -1.784883 0.464189
C 2.635066 0.020365 1.026005
C 3.427668 2.175704 0.205527
C 3.691554 -0.687583 0.162455
C 4.473507 1.457677 -0.661750
C 1.171141 2.017875 1.159795
C -0.162295 1.241213 1.199852
C 5.991073 -0.496594 -0.739821
C -0.634207 0.843360 -0.217850
C 7.352890 0.083826 -0.334703
C -3.150405 0.863602 -0.288391
C -1.896817 -1.274027 -0.003658
C -4.405359 0.255041 -0.584284
C -3.022485 -2.123824 -0.233876
C -3.153384 2.265071 -0.035449
C -5.599793 1.000923 -0.592806
C -2.935843 -3.484773 0.103073
C -4.345132 3.019261 -0.082584
C -5.579460 2.393669 -0.352600
C -0.629380 -3.120741 0.730069
C -1.712912 -4.007972 0.594672
H 3.052741 0.176864 2.053408
H 1.744832 -0.628809 1.102789
H 3.107325 3.106884 -0.299845
H 3.902727 2.456318 1.180595
H 4.009117 -1.618075 0.668613
H 3.223321 -0.967235 -0.815241
H 4.038511 1.283236 -1.678913
H 5.359554 2.108318 -0.777359
H 1.012090 2.995470 0.660230
H 1.486617 2.242186 2.212860
H -0.063478 0.321019 1.801080
H -0.915303 1.872934 1.708379
H 5.986150 -1.568785 -0.471520
H 5.888818 -0.438015 -1.850186
H 0.129514 0.188724 -0.662757
H -0.723925 1.731822 -0.869012
H 7.397981 1.171793 -0.554322
H 7.502674 -0.062982 0.754317
H -2.219342 2.776925 0.203199
H 9.264311 -0.339180 -0.873213
H -6.545496 0.491492 -0.807801
H -3.802585 -4.136806 -0.047317
H -4.301556 4.097399 0.105750
H -6.509303 2.970105 -0.379849
H 0.352017 -3.471636 1.068284
H -1.608842 -5.066931 0.845740


