%chk=000117723.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117723

1 1
 O    3.386100      0.8277000     -0.4123000    
 O    3.088700      -1.196900      -1.466700    
 O   -6.154600      -1.899200      0.2996000    
 O   -3.885400      -1.265700     -0.9067000    
 N    6.915000     -4.3200001E-02  0.4329000    
 N   -2.879200      0.6440000      2.5100000E-02
 C    5.404700      2.3900000E-02  0.6079000    
 C    7.536500     -0.7231000       1.644400    
 C    7.473300       1.366300      0.3003000    
 C    7.245500     -0.8400000     -0.8210000    
 C    4.793500      0.7295000     -0.5865000    
 C    6.977800      -2.123600       1.771000    
 C    8.974600       1.293300      0.1265000    
 C    2.649100     -0.2078000     -0.9010000    
 C    1.201500      1.5500000E-02 -0.6581000    
 C   0.2692000     -0.9307000      -1.083900    
 C   0.7736000       1.171300     -4.9999999E-03
 C   -1.518800      0.4349000     -0.2034000    
 C   -1.090900     -0.7211000     -0.8565000    
 C  -0.5865000       1.381000      0.2224000    
 C   -3.950700     -0.1876000     -0.3262000    
 C   -5.299300      0.3259000      3.0700000E-02
 C   -6.343300     -0.5498000      0.3285000    
 C   -5.513300       1.703900      6.5300003E-02
 C   -7.601500     -4.7600001E-02  0.6610000    
 C   -6.771600       2.206000      0.3977000    
 C   -7.815700       1.330300      0.6955000    
 C   -7.278500      -2.717100      0.6182000    
 H    5.185100      0.5520000       1.543400    
 H    4.992100     -0.9864000      0.6747000    
 H    7.317400     -0.1182000       2.531000    
 H    8.618100     -0.7976000       1.506700    
 H    7.065800       1.844300     -0.5927000    
 H    7.193300       1.937100       1.192200    
 H    8.257100      -1.250400     -0.7413000    
 H    7.184900     -0.1867000      -1.697200    
 H    6.528800      -1.659600     -0.9339000    
 H    5.022700      0.2596000      -1.548000    
 H    5.113100       1.770600     -0.6578000    
 H    5.930100      -2.141200       2.082200    
 H    7.523700      -2.639900       2.570500    
 H    7.100200      -2.741500      0.8786000    
 H    9.344500       2.302600     -9.3599997E-02
 H    9.304200      0.6668000     -0.7054000    
 H    9.497400      0.9899000       1.037400    
 H   0.5835000      -1.837300      -1.594400    
 H    1.464500       1.933700      0.3434000    
 H   -1.749400      -1.499200      -1.215700    
 H  -0.9060000       2.286200      0.7327000    
 H   -3.085300       1.495300      0.5408000    
 H   -4.740100       2.420800     -0.1946000    
 H   -8.459600     -0.6648000      0.9034000    
 H   -6.941200       3.278700      0.4166000    
 H   -8.795500       1.722600      0.9522000    
 H   -7.612500      -2.561400       1.649700    
 H   -8.088900      -2.591200     -0.1077000    
 H   -6.948400      -3.758900      0.5464000    


%chk=000117723-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117723

1 1
O 3.439581 1.554765 0.162287
O 3.447837 -0.410794 -1.098811
O -5.855324 -1.942649 0.778846
O -3.604140 -1.393840 -1.012213
N 6.858670 -0.104756 0.372318
N -2.914044 0.604301 0.020320
C 5.538306 0.501682 0.895589
C 7.350858 -1.167055 1.395392
C 7.913691 1.031732 0.274033
C 6.643079 -0.761302 -0.998933
C 4.899272 1.566195 -0.030931
C 6.398203 -2.347673 1.616908
C 9.291838 0.605210 -0.242830
C 2.770838 0.465788 -0.490625
C 1.317143 0.522511 -0.344869
C 0.536750 -0.520226 -0.922130
C 0.657233 1.578930 0.347550
C -1.518158 0.533676 -0.123447
C -0.859851 -0.527568 -0.817785
C -0.737641 1.582741 0.454918
C -3.899639 -0.312812 -0.437391
C -5.301825 0.171747 -0.197188
C -6.297882 -0.695547 0.350359
C -5.675752 1.480108 -0.596268
C -7.636821 -0.244879 0.469787
C -7.007660 1.931013 -0.474504
C -7.983667 1.059559 0.056743
C -6.847731 -2.893638 1.297157
H 5.755583 0.915631 1.895286
H 4.834684 -0.335135 0.998870
H 7.532911 -0.620945 2.338304
H 8.318001 -1.527500 1.010227
H 7.475065 1.791017 -0.395301
H 7.988065 1.465070 1.287491
H 7.407774 -1.536680 -1.149118
H 6.737959 0.000331 -1.786561
H 5.629468 -1.185956 -1.042115
H 5.123301 1.367183 -1.093640
H 5.200415 2.590464 0.234254
H 5.460939 -2.064493 2.122162
H 6.910990 -3.071656 2.274337
H 6.153134 -2.877300 0.681664
H 9.907405 1.515895 -0.347722
H 9.245778 0.132812 -1.238213
H 9.828662 -0.064131 0.448764
H 1.048177 -1.327242 -1.456938
H 1.245172 2.387636 0.789436
H -1.457393 -1.330701 -1.250700
H -1.238327 2.400949 0.986587
H -3.277627 1.400214 0.552359
H -4.925169 2.134949 -1.055586
H -8.407251 -0.899822 0.885573
H -7.281340 2.937453 -0.804519
H -9.022825 1.392569 0.150683
H -7.330666 -2.508783 2.215763
H -7.614877 -3.122891 0.534155
H -6.271771 -3.800156 1.529515


