%chk=000178609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178609

0 1
 S   0.2618000       2.176100     -0.6421000    
 P  -2.9600000E-02  0.7140000      0.8274000    
 O   -3.976400      -1.308000      1.5600000E-02
 O    3.782700      -1.265900     -0.5406000    
 O  -0.9195000       3.060900     -0.3733000    
 N   -1.423900     -3.4499999E-02  0.1746000    
 N    1.272500     -0.3330000      0.4551000    
 C   -2.677300      0.7079000      0.3836000    
 C   -1.611000      -1.448400      0.5375000    
 C    1.497900     -0.5766000     -0.9786000    
 C    2.544400      6.8000001E-03   1.112900    
 C   -3.820400      5.1500000E-02 -0.3871000    
 C   -2.782500      -2.046600     -0.2378000    
 C    2.564500      -1.651400      -1.175000    
 C    3.583100      -1.083400      0.8600000    
 C    1.733800       3.030600     -3.2200001E-02
 H   -2.643400       1.743800      4.9400002E-02
 H   -2.929100      0.7182000       1.453500    
 H   -1.809100      -1.537300       1.614600    
 H  -0.7278000      -2.056400      0.3112000    
 H    1.876600      0.3127000      -1.495200    
 H   0.5890000     -0.9124000      -1.492000    
 H    2.408600      0.1004000       2.197800    
 H    2.963500      0.9447000      0.7488000    
 H   -4.760300      0.5701000     -0.1722000    
 H   -3.656300      9.8200001E-02  -1.470700    
 H   -2.584300      -2.066900      -1.316400    
 H   -2.955100      -3.078000      8.6199999E-02
 H    2.236100      -2.621500     -0.7823000    
 H    2.772100      -1.781000      -2.242200    
 H    4.543300     -0.7929000       1.298600    
 H    3.286800      -2.036000       1.315900    
 H    1.781900       3.028700       1.058800    
 H    1.681400       4.068900     -0.3727000    
 H    2.626600       2.585500     -0.4740000    


%chk=000178609-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178609

0 1
S 0.490280 2.244907 -1.242672
P 0.672366 0.812781 1.115178
O -3.486089 -0.495576 -0.205254
O 3.525239 -2.484419 -0.490641
O -0.799047 1.366213 -1.920045
N -0.901077 0.055081 0.939240
N 1.749145 -0.407783 0.425126
C -2.103599 0.804220 1.377649
C -1.230389 -1.287310 0.417102
C 1.832934 -0.740888 -1.023602
C 3.023379 -0.681913 1.138341
C -3.140299 0.868603 0.231513
C -2.280477 -1.184283 -0.709721
C 2.256605 -2.211881 -1.189489
C 3.401582 -2.163377 0.940045
C -0.343977 3.814489 -0.541174
H -1.814160 1.821405 1.704113
H -2.554431 0.276154 2.243946
H -1.660825 -1.880719 1.252256
H -0.310116 -1.788269 0.078725
H 2.592807 -0.093072 -1.513229
H 0.863093 -0.546869 -1.517811
H 2.902452 -0.463815 2.215377
H 3.845542 -0.047616 0.739167
H -4.086311 1.312975 0.584689
H -2.716648 1.436099 -0.621505
H -1.852356 -0.619052 -1.560941
H -2.625655 -2.184641 -1.020672
H 1.464929 -2.887640 -0.797518
H 2.449021 -2.448158 -2.248921
H 4.390146 -2.381940 1.377456
H 2.630333 -2.811532 1.410098
H -1.211656 3.509354 0.060766
H -0.666870 4.420373 -1.400922
H 0.394730 4.356899 0.070430


