%chk=000058150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058150

0 1
 S   -3.258700      -2.117500     -0.3587000    
 O   -1.170000      -3.565600      0.2127000    
 N    3.213200      0.4773000      0.2534000    
 N  -4.4000000E-02  0.7592000      0.6989000    
 N   0.5455000      -1.378700      0.7999000    
 C    3.356900     -0.7635000     -0.5211000    
 C    4.517800      0.9647000      0.7226000    
 C    4.263200     -0.5543000      -1.735400    
 C    5.462000       1.230300     -0.4508000    
 C    5.625800     -9.4999997E-03  -1.322600    
 C    2.306800      0.2732000       1.383100    
 C   0.9509000     -0.1402000      0.9642000    
 C   -1.161300      4.9199998E-02  0.3413000    
 C  -0.7697000      -1.271900      0.4116000    
 C   -2.462400      0.5740000     -2.7600000E-02
 C   0.1615000       2.186300      0.8101000    
 C   -3.480600     -0.3371000     -0.3624000    
 C   -1.592000      -2.419200      0.1269000    
 C   -2.727600       1.951100     -5.8200002E-02
 C   -4.746800      0.1501000     -0.7218000    
 C   -3.991200       2.420600     -0.4173000    
 C   -4.999500       1.521600     -0.7487000    
 H    2.395900      -1.101200     -0.9221000    
 H    3.758900      -1.573400      0.1020000    
 H    4.980100      0.2448000       1.410900    
 H    4.387400       1.904500       1.273000    
 H    3.786600      0.1450000      -2.434200    
 H    4.391700      -1.502400      -2.269900    
 H    6.440500       1.548900     -7.3899999E-02
 H    5.069300       2.055200      -1.058800    
 H    6.174200     -0.7790000     -0.7655000    
 H    6.220000      0.2308000      -2.211000    
 H    2.280200       1.147600       2.042100    
 H    2.707100     -0.5239000       2.027800    
 H    1.191600       2.453400       1.037300    
 H  -4.7800001E-02   2.640400     -0.1616000    
 H  -0.4716000       2.569800       1.613700    
 H   -2.026100       2.726200      0.1947000    
 H   -5.553200     -0.5312000     -0.9853000    
 H   -4.190000       3.488400     -0.4349000    
 H   -5.983600       1.886700      -1.027500    


%chk=000058150-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058150

0 1
S -3.564206 -2.105602 -0.062744
O -1.679316 -3.716889 1.035040
N 3.214998 0.367657 0.393611
N 0.047587 0.584502 0.639624
N 0.364289 -1.592006 1.226879
C 3.378486 -0.688788 -0.646596
C 4.533467 0.859960 0.882792
C 4.182861 -0.157229 -1.848559
C 5.370639 1.435604 -0.276324
C 5.557421 0.382997 -1.392754
C 2.365624 -0.099506 1.527174
C 0.944457 -0.386504 1.127024
C -1.194252 -0.047474 0.434268
C -0.956481 -1.408604 0.791737
C -2.446855 0.552102 -0.012738
C 0.460704 1.965210 0.327900
C -3.566925 -0.300979 -0.289819
C -1.875412 -2.530924 0.706724
C -2.650387 1.960639 -0.165582
C -4.794432 0.239809 -0.749930
C -3.871120 2.490691 -0.612292
C -4.949351 1.626538 -0.921918
H 2.375994 -1.023431 -0.967944
H 3.897833 -1.583117 -0.215991
H 5.108348 0.034765 1.378567
H 4.350830 1.638558 1.648537
H 3.608424 0.654310 -2.336798
H 4.307713 -0.969106 -2.589930
H 6.350312 1.772720 0.112941
H 4.850950 2.323005 -0.687745
H 6.171962 -0.456302 -1.006399
H 6.107533 0.819011 -2.247649
H 2.387865 0.689445 2.305632
H 2.749682 -1.036844 1.991439
H 1.563148 1.969467 0.283385
H 0.081736 2.263127 -0.662975
H 0.101515 2.677893 1.091620
H -1.854000 2.658160 0.093263
H -5.629848 -0.436888 -0.958921
H -3.987130 3.574855 -0.711834
H -5.903666 2.029868 -1.275816


