%chk=000065612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065612

0 1
 S   -3.807100     -0.8531000     -0.1689000    
 O    1.239600      -3.944300      0.2413000    
 N    3.552900       2.287800      0.3854000    
 N  -0.9538000      0.3273000     -0.5305000    
 C    2.573300       1.803500     -0.6060000    
 C    3.246500      0.7818000      -1.542600    
 C    1.272000       1.236200     -1.7600000E-02
 C    3.906900     -0.3631000     -0.7803000    
 C    4.159900       1.212800       1.178300    
 C    4.850500      0.1835000      0.2836000    
 C   0.2881000      0.8464000      -1.117900    
 C    3.024300       3.341400       1.247000    
 C   -1.014100      -1.061900     -0.2533000    
 C   -1.973000       1.264600     -0.2253000    
 C   -2.248800      -1.708200     -4.6200000E-02
 C   -3.302800      0.8488000     -1.5400000E-02
 C   0.1503000      -1.852200     -0.1362000    
 C   -1.702500       2.643100     -8.1900001E-02
 C   -2.302300      -3.084800      0.2357000    
 C   -4.308300       1.781900      0.2943000    
 C   9.1600001E-02  -3.219100      0.1490000    
 C   -2.704800       3.565500      0.2309000    
 C   -1.136200      -3.836800      0.3319000    
 C   -4.009700       3.134800      0.4159000    
 C    1.107600      -5.335600      0.5288000    
 H    2.301900       2.663100      -1.234700    
 H    4.034800       1.308700      -2.100300    
 H    2.583300      0.3908000      -2.316400    
 H   0.8199000       1.978100      0.6449000    
 H    1.488400      0.3928000      0.6430000    
 H    4.467500     -0.9958000      -1.478000    
 H    3.163200      -1.004100     -0.3054000    
 H    3.416200      0.7159000       1.813200    
 H    4.918300       1.633300       1.850600    
 H    5.236000     -0.6401000      0.8953000    
 H    5.716800      0.6483000     -0.2045000    
 H   0.6897000      9.4099998E-02  -1.802400    
 H   8.6199999E-02   1.702200      -1.776100    
 H    2.559100       4.136300      0.6538000    
 H    3.839500       3.810900       1.809400    
 H    2.291700       2.970900       1.971800    
 H    1.135800      -1.440700     -0.2912000    
 H  -0.7137000       3.062700     -0.2326000    
 H   -3.257000      -3.586000      0.3836000    
 H   -5.337900       1.463000      0.4444000    
 H   -2.461400       4.620000      0.3233000    
 H   -1.260000      -4.891200      0.5524000    
 H   -4.792700       3.847700      0.6556000    
 H   0.5716000      -5.862100     -0.2680000    
 H   0.6564000      -5.502100       1.512900    
 H    2.118300      -5.755300      0.5656000    


%chk=000065612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065612

0 1
S -3.986625 -0.798322 -0.359918
O 1.065148 -4.072226 0.024637
N 3.516585 2.402021 0.274144
N -1.033995 0.248479 -0.586888
C 2.630222 1.686188 -0.688115
C 3.481371 0.646221 -1.465066
C 1.348860 1.058467 -0.042035
C 4.226308 -0.323362 -0.517628
C 4.208201 1.515246 1.239289
C 5.073279 0.473040 0.499900
C 0.268179 0.732871 -1.108193
C 2.914786 3.592248 0.896958
C -1.168589 -1.143897 -0.306426
C -1.998148 1.216971 -0.170368
C -2.444326 -1.745388 -0.081238
C -3.362635 0.871401 0.059161
C -0.031752 -1.988834 -0.249363
C -1.638858 2.583655 0.015819
C -2.552581 -3.110374 0.229380
C -4.300294 1.827435 0.496196
C -0.155190 -3.372474 0.020303
C -2.589124 3.549489 0.412087
C -1.416420 -3.952088 0.277613
C -3.925017 3.178978 0.668543
C 1.013273 -5.506156 0.314052
H 2.286450 2.454471 -1.415060
H 4.226834 1.202153 -2.065383
H 2.844921 0.083865 -2.175067
H 0.927054 1.769020 0.692449
H 1.605559 0.150519 0.530627
H 4.870376 -1.003219 -1.106793
H 3.504979 -0.969292 0.023096
H 3.491640 0.988947 1.921820
H 4.850819 2.147828 1.881180
H 5.543077 -0.207982 1.235684
H 5.884333 1.004817 -0.034215
H 0.643745 -0.031900 -1.810628
H 0.068601 1.637464 -1.713094
H 2.466722 4.232523 0.114319
H 3.702499 4.179614 1.403857
H 2.122024 3.373088 1.656069
H 0.978793 -1.608889 -0.403283
H -0.609332 2.909277 -0.145023
H -3.545823 -3.534793 0.411634
H -5.333707 1.512627 0.678266
H -2.271487 4.591122 0.531185
H -1.534945 -5.014549 0.503041
H -4.663682 3.919504 0.990713
H 0.410548 -6.047982 -0.440800
H 0.601351 -5.698682 1.324066
H 2.057994 -5.847442 0.268698


