%chk=000116615.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116615

0 1
 S    2.865000       1.463100     -0.9286000    
 O    2.288100      0.8750000       1.568800    
 N    8.556900      -2.650600      0.4788000    
 C   -6.123100      0.2624000     -0.2769000    
 C   -6.836000      -1.037000      0.1037000    
 C   -4.621000      0.1760000      1.1300000E-02
 C   -8.340900     -0.9407000     -0.1521000    
 C   -3.870400       1.469000     -0.3268000    
 C   -9.058100      -2.226100      0.2596000    
 C   -2.379100       1.379800     -0.1214000    
 C   -10.54980      -2.146900     -2.3900000E-02
 C   -1.841000       1.715000       1.112000    
 C   -1.570800      0.9633000      -1.168100    
 C  -0.4618000       1.631700       1.303000    
 C  -0.1915000      0.8800000     -0.9771000    
 C   0.3630000       1.214200      0.2584000    
 C    1.801300       1.128900      0.4566000    
 C    4.282200      0.4388000     -0.5782000    
 C    4.130500     -0.9422000     -0.4618000    
 C    5.539700       1.019700     -0.4214000    
 C    5.238600      -1.743900     -0.1879000    
 C    6.647900      0.2180000     -0.1476000    
 C    6.497300      -1.163800     -3.0800000E-02
 C    7.633100      -1.983800      0.2502000    
 H   -6.281300      0.4733000      -1.341400    
 H   -6.554100       1.098300      0.2871000    
 H   -6.416300      -1.870100     -0.4731000    
 H   -6.658400      -1.255400       1.163800    
 H   -4.465400     -6.6100001E-02   1.070500    
 H   -4.192800     -0.6557000     -0.5630000    
 H   -8.757100     -9.4300002E-02  0.4077000    
 H   -8.519300     -0.7431000      -1.216200    
 H   -4.271200       2.294700      0.2758000    
 H   -4.071600       1.748100      -1.369700    
 H   -8.635000      -3.079200     -0.2836000    
 H   -8.903500      -2.413000       1.328600    
 H   -10.73880      -1.994200      -1.091300    
 H   -11.01060      -1.321800      0.5284000    
 H   -11.04300      -3.075800      0.2789000    
 H   -2.475400       2.039800       1.931700    
 H   -1.994500      0.6932000      -2.131200    
 H  -4.7400001E-02   1.899800       2.271500    
 H   0.4094000      0.5236000      -1.808500    
 H    3.158800      -1.414600     -0.5839000    
 H    5.676000       2.094800     -0.5085000    
 H    5.105500      -2.819600     -0.1004000    
 H    7.622700      0.6850000     -2.7600000E-02


%chk=000116615-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116615

0 1
S 2.726828 0.060751 -1.238027
O 2.389355 0.241084 1.508049
N 9.708434 -0.827066 0.676603
C -6.289506 0.356760 -0.076753
C -7.122176 -0.945126 -0.064207
C -4.768059 0.103563 0.003392
C -8.645573 -0.695394 -0.138782
C -3.940712 1.422251 -0.009538
C -9.479345 -1.996986 -0.124482
C -2.446995 1.168076 0.077862
C -11.000172 -1.740561 -0.196734
C -1.794947 1.076025 1.337309
C -1.669974 0.973149 -1.095617
C -0.419502 0.798312 1.424487
C -0.291881 0.697546 -1.020889
C 0.350580 0.605211 0.242837
C 1.800216 0.319561 0.409648
C 4.457971 -0.150662 -0.670305
C 4.808012 -1.065333 0.351259
C 5.459680 0.591302 -1.342112
C 6.160916 -1.232950 0.703785
C 6.814454 0.414591 -1.001111
C 7.174813 -0.498152 0.028597
C 8.558346 -0.677765 0.383108
H -6.518822 0.930578 -0.999115
H -6.599995 0.999129 0.773877
H -6.814259 -1.586483 -0.916315
H -6.890499 -1.520136 0.856635
H -4.531668 -0.464337 0.925694
H -4.449308 -0.533960 -0.845756
H -8.955142 -0.054331 0.713202
H -8.879869 -0.121682 -1.059993
H -4.268864 2.052170 0.840218
H -4.178921 1.979308 -0.936590
H -9.170542 -2.636887 -0.976360
H -9.243462 -2.570205 0.795484
H -11.267876 -1.198713 -1.123511
H -11.340365 -1.127758 0.659395
H -11.571328 -2.687001 -0.182316
H -2.375933 1.229737 2.254502
H -2.153892 1.046888 -2.076635
H 0.083605 0.731106 2.394624
H 0.280123 0.562437 -1.945071
H 4.034466 -1.634620 0.870772
H 5.178935 1.305661 -2.122091
H 6.437627 -1.934848 1.496277
H 7.592027 0.983354 -1.519910


