%chk=000153779.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153779

0 1
 S    7.678400      0.9896000      0.1055000    
 O   -5.313900       4.176500      3.3300001E-02
 O    8.860500       1.723900     -0.3057000    
 O    7.266300      0.9750000       1.495100    
 N   -5.001000      -1.289300     -0.2199000    
 N    1.180300     -0.1884000      0.5164000    
 N    1.257000      -2.536800      0.4004000    
 N    6.371300       1.444300     -0.9195000    
 C   -3.039000     -0.2673000      4.8799999E-02
 C   -3.650700      -1.511600     -8.3899997E-02
 C   -4.068900      0.7248000     -1.1500000E-02
 C   -2.935100      -2.715400     -6.9100000E-02
 C   -1.539300      -2.659000      8.6900003E-02
 C   -5.281400      5.6000002E-02 -0.1796000    
 C  -0.8944000      -1.413900      0.2234000    
 C   -1.638100     -0.2178000      0.2050000    
 C   -4.080200       2.133600      6.1700001E-02
 C   0.4933000      -1.421400      0.3754000    
 C   -3.655100      -4.019900     -0.2158000    
 C   -6.507300      0.7239000     -0.2785000    
 C  -0.7667000      -3.825500      0.1101000    
 C   -5.298300       2.815800     -3.5599999E-02
 C   -6.492700       2.119200     -0.2032000    
 C   0.6060000      -3.710600      0.2668000    
 C    2.473500      0.2202000      0.1573000    
 C    3.134200       1.203100      0.9013000    
 C    3.113200     -0.3537000     -0.9461000    
 C    5.053800       1.031500     -0.5559000    
 C    4.420900       1.607700      0.5456000    
 C    4.399900      5.0900001E-02  -1.301700    
 C   -4.058500       4.830900      0.2053000    
 C    7.912000     -0.6961000     -0.4122000    
 H   -5.701400      -2.008100     -0.3345000    
 H   -1.169400      0.7572000      0.2987000    
 H   -3.122400       2.622700      0.1923000    
 H   -3.301600      -4.553200      -1.104800    
 H   -3.496100      -4.645300      0.6693000    
 H   -4.736200      -3.902600     -0.3282000    
 H   -7.438000      0.1819000     -0.4091000    
 H   -1.192900      -4.818200      1.0900000E-02
 H   -7.432000       2.662300     -0.2777000    
 H   0.7299000      0.4404000       1.175800    
 H    1.237100      -4.593200      0.2893000    
 H    2.653000       1.662300       1.761400    
 H    2.621100      -1.110100      -1.552000    
 H    4.912300       2.381800       1.129200    
 H    4.882900     -0.4039000      -2.162800    
 H    6.564900       1.380000      -1.928000    
 H   -4.257600       5.907100      0.2398000    
 H   -3.393100       4.657500     -0.6473000    
 H   -3.591300       4.563000       1.159200    
 H    8.776400      -1.094700      0.1239000    
 H    7.024400      -1.278300     -0.1597000    
 H    8.104200     -0.7153000      -1.486600    


%chk=000153779-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153779

0 1
S 7.659987 1.562532 0.307357
O -5.131465 4.286926 0.812302
O 9.251387 1.530839 -0.035079
O 6.923489 2.918671 0.819573
N -5.098084 -1.284428 0.228503
N 1.239155 -0.407848 -0.602248
N 1.159153 -2.758625 -0.846952
N 6.683753 0.989152 -1.392597
C -3.021461 -0.304456 0.022661
C -3.742614 -1.563943 -0.000150
C -4.001617 0.747110 0.275832
C -3.110982 -2.796194 -0.220935
C -1.688533 -2.773596 -0.428501
C -5.274976 0.104544 0.397720
C -0.944534 -1.519963 -0.408082
C -1.637995 -0.294200 -0.181494
C -3.897344 2.153786 0.406710
C 0.502697 -1.599998 -0.626999
C -3.885465 -4.100665 -0.243020
C -6.451975 0.841145 0.648203
C -0.948820 -3.985051 -0.665843
C -5.077666 2.889417 0.658293
C -6.340471 2.237180 0.777094
C 0.425728 -3.926515 -0.864684
C 2.612667 -0.156395 -0.793710
C 3.034405 1.206504 -0.687690
C 3.584948 -1.158132 -1.085570
C 5.351458 0.569480 -1.168210
C 4.372254 1.568489 -0.878625
C 4.931934 -0.792823 -1.242183
C -3.872354 5.023664 0.704970
C 7.318002 0.228623 1.666830
H -5.843565 -1.974320 0.265943
H -1.121116 0.672640 -0.163753
H -2.926433 2.648957 0.313966
H -3.787519 -4.613201 -1.218363
H -3.521672 -4.801033 0.531999
H -4.963684 -3.950981 -0.063010
H -7.428449 0.354909 0.742154
H -1.456261 -4.952212 -0.692276
H -7.219788 2.858257 0.971842
H 0.693356 0.432657 -0.413002
H 1.008492 -4.835335 -1.048929
H 2.294781 1.987448 -0.465596
H 3.251284 -2.193273 -1.165820
H 4.690884 2.612963 -0.817052
H 5.675025 -1.573920 -1.451650
H 7.306224 0.226036 -1.728309
H -4.140872 6.079060 0.858146
H -3.415184 4.897881 -0.296593
H -3.151452 4.706466 1.484477
H 7.721164 0.662635 2.592350
H 6.228861 0.091465 1.709399
H 7.855468 -0.678825 1.359799


