%chk=000103134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103134

0 1
 S   -3.287000      0.7544000     -0.2229000    
 S   -6.499400       1.982800     -0.4346000    
 O   -5.395600       2.414900      -1.554700    
 O   -7.791700       1.940100      -1.092800    
 O   -6.285900       2.783400      0.7554000    
 N   -3.071000      -1.729000      0.4388000    
 N    8.235900      -1.155100      -1.094400    
 C    6.085600     -0.2735000     -0.3036000    
 C    5.370300      0.6989000      0.4351000    
 C    3.283500     -0.3993000     -0.1626000    
 C   -4.744600     -0.1194000      6.8099998E-02
 C   -6.073500      0.3286000     -2.4000001E-03
 C    1.839800     -0.4650000     -8.9800000E-02
 C   -4.426900      -1.437000      0.4116000    
 C    3.969300      0.6220000      0.4956000    
 C   -7.095000     -0.5811000      0.2818000    
 C  -0.9434000     -0.5912000      5.0700001E-02
 C    7.486600     -0.1965000     -0.3641000    
 C   -2.382800     -0.6562000      0.1231000    
 C    5.378800      -1.294700     -0.9593000    
 C    3.986800      -1.355800     -0.8885000    
 C    8.172700      0.8247000      0.2936000    
 C    6.077200       1.719900       1.091100    
 C   -5.478300      -2.335800      0.6940000    
 C    1.193400      -1.698900     -0.1602000    
 C    1.094800      0.7059000      5.0799999E-02
 C   -6.803500      -1.896400      0.6257000    
 C  -0.1983000      -1.762000     -9.0000004E-02
 C  -0.2969000      0.6426000      0.1212000    
 C    7.469300       1.781000       1.019800    
 C   -8.533400     -0.1739000      0.2266000    
 C    9.663200      0.9215000      0.2369000    
 H    3.444100       1.362000       1.096400    
 H    5.866800      -2.065700      -1.546900    
 H    3.493500      -2.150200      -1.442000    
 H    5.548700       2.478700       1.664600    
 H   -5.261700      -3.365900      0.9629000    
 H    1.732600      -2.638900     -0.2391000    
 H    1.552400       1.690900      8.2800001E-02
 H   -7.597700      -2.606100      0.8447000    
 H  -0.6798000      -2.735500     -0.1436000    
 H  -0.8151000       1.587900      0.2502000    
 H    7.987400       2.583700       1.538100    
 H   -8.727400      0.7475000      0.7847000    
 H   -9.161400     -0.9284000      0.7185000    
 H   -8.893500     -0.1175000     -0.8049000    
 H    10.00270       1.050500     -0.7963000    
 H    10.03620       1.780200      0.8065000    
 H    10.12500      2.6699999E-02  0.6672000    
 H    9.243800      -1.092700      -1.134000    
 H    7.794600      -1.916300      -1.586900    
 H   -5.407400       1.887200      -2.387700    


%chk=000103134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103134

0 1
S -3.463148 0.980803 -0.169172
S -7.014725 1.959155 -0.291614
O -5.419110 2.904257 -0.229440
O -7.605772 2.102393 -1.794385
O -7.940757 2.429813 0.943472
N -3.139146 -1.669107 0.246122
N 8.451286 -1.407285 -0.759321
C 6.269742 -0.373913 -0.241455
C 5.533826 0.767849 0.263106
C 3.380797 -0.403234 -0.142929
C -4.924542 -0.063402 0.034283
C -6.302702 0.220964 0.018213
C 1.894725 -0.434896 -0.097696
C -4.517861 -1.434111 0.245551
C 4.104136 0.717819 0.295627
C -7.301075 -0.774579 0.192808
C -0.974920 -0.496474 -0.004176
C 7.717490 -0.322150 -0.276776
C -2.434994 -0.565849 0.047153
C 5.516568 -1.509955 -0.687215
C 4.123640 -1.531022 -0.638944
C 8.399272 0.835262 0.181505
C 6.245918 1.921415 0.723436
C -5.488916 -2.442486 0.430256
C 1.187339 -1.656951 0.099118
C 1.125337 0.754290 -0.249473
C -6.851348 -2.109473 0.402028
C -0.214851 -1.691802 0.146932
C -0.278257 0.727641 -0.202490
C 7.641456 1.938060 0.675204
C -8.790814 -0.481992 0.166183
C 9.915091 0.894470 0.146601
H 3.573211 1.582523 0.711917
H 6.024653 -2.393021 -1.092682
H 3.584506 -2.404872 -1.019932
H 5.687806 2.781494 1.108553
H -5.152732 -3.470707 0.587875
H 1.747947 -2.586074 0.247622
H 1.635155 1.704980 -0.437632
H -7.605227 -2.891142 0.539579
H -0.749349 -2.632802 0.308575
H -0.834418 1.663981 -0.331314
H 8.186869 2.822294 1.026586
H -9.099664 0.110585 1.045703
H -9.360137 -1.424995 0.162871
H -9.082163 0.094712 -0.731184
H 10.311323 0.788873 -0.884629
H 10.280936 1.857965 0.538093
H 10.376891 0.095045 0.762391
H 9.464834 -1.368970 -0.786958
H 7.999113 -2.251756 -1.091296
H -5.549440 3.714377 -0.801449


