%chk=000178755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178755

0 1
 O   -4.256800     -0.3425000      -1.199600    
 O   -2.916200      -2.915600      0.1700000    
 O   -5.417500      -2.715500       1.235700    
 O   -6.926300     -0.2985000      -2.120300    
 O    3.708100      -2.831500       1.905200    
 O   0.1697000       4.075800       1.339900    
 N   -2.470200      0.6597000     -3.9999999E-04
 N    5.246900     -0.3701000      -1.322100    
 N    2.217400      0.2068000     -0.2259000    
 N  -6.8400003E-02  0.3117000     -0.1628000    
 N   -2.411000       2.743000      0.8324000    
 N    1.254000       2.177200      0.5706000    
 C   -3.021600     -0.6015000     -0.4985000    
 C   -3.320300      -1.618300      0.6046000    
 C   -4.828500      -1.530900      0.7440000    
 C   -5.266500      -1.221400     -0.6770000    
 C    3.576200      0.6618000     -3.2499999E-02
 C    3.999000       1.585500      -1.214700    
 C    4.600700     -0.4055000     -0.1220000    
 C    4.783000      0.6904000      -2.194300    
 C   -6.625300     -0.5492000     -0.7587000    
 C   -1.169400       1.009800      0.1274000    
 C    5.131700      -1.434200      0.6102000    
 C    6.189000      -1.329600      -1.412400    
 C    1.143000      0.9551000      8.2699999E-02
 C   -3.189100       1.747800      0.4411000    
 C    6.142700      -2.023000     -0.2126000    
 C   -1.142100       2.276300      0.6338000    
 C    4.745900      -1.852400       1.969700    
 C   0.1219000       2.938700      0.8864000    
 H   -2.310400     -0.9867000      -1.237900    
 H   -2.806300      -1.421300       1.550800    
 H   -5.087000     -0.7020000       1.413500    
 H   -5.270100      -2.122800      -1.303500    
 H    3.674900       1.193800      0.9211000    
 H    4.678500       2.358700     -0.8306000    
 H    3.167500       2.099500      -1.707300    
 H    4.137100      0.2384000      -2.952500    
 H    5.638300       1.197500      -2.646500    
 H   -6.632300      0.4116000     -0.2336000    
 H   -7.410400      -1.186300     -0.3412000    
 H    2.084800     -0.7054000     -0.6536000    
 H    6.809100      -1.456500      -2.288900    
 H   -4.270400       1.759900      0.4603000    
 H    6.773400      -2.863700      4.2900000E-02
 H  -8.5000001E-02 -0.6321000     -0.5351000    
 H   -1.950100      -2.896500      6.0199998E-02
 H   -5.135900      -3.450200      0.6643000    
 H    5.594600      -2.299300       2.497200    
 H    4.389000      -1.008600       2.569300    
 H   -6.219400      0.2653000      -2.478400    
 H    2.924100      -2.402100       1.521400    


%chk=000178755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178755

0 1
O -2.510047 -1.527428 1.345106
O -5.595918 -1.636277 1.547476
O -5.260864 -1.826237 -1.061759
O -0.623623 -2.337901 -0.361363
O 2.001629 -2.715955 -0.206279
O 0.314480 4.359937 1.608646
N -2.751158 0.817692 1.782582
N 4.488903 0.179103 -2.199818
N 1.716304 0.167282 0.003005
N -0.418578 0.302721 0.974464
N -2.454294 3.062421 2.152611
N 1.022815 2.258337 0.833658
C -3.402720 -0.512882 1.880235
C -4.704653 -0.586006 1.041716
C -4.224436 -1.114581 -0.345424
C -2.984556 -1.990790 0.002273
C 3.039688 0.683750 -0.379753
C 3.015708 1.856761 -1.429888
C 3.824600 -0.380533 -1.117057
C 4.272585 1.638231 -2.324731
C -1.843539 -1.852067 -1.014054
C -1.422889 1.117187 1.463844
C 4.059240 -1.768478 -1.129343
C 5.174257 -0.801646 -2.908447
C 0.783077 0.965652 0.627161
C -3.321821 2.048122 2.212871
C 4.911433 -2.025171 -2.268783
C -1.252733 2.500088 1.679059
C 3.509775 -2.776066 -0.173663
C 0.047863 3.143577 1.398504
H -3.583413 -0.753619 2.944526
H -5.222410 0.386889 0.965030
H -3.933498 -0.264040 -0.985372
H -3.275022 -3.049222 0.121228
H 3.564454 1.040229 0.531759
H 2.990783 2.837135 -0.934904
H 2.098407 1.754823 -2.035548
H 4.105429 1.924342 -3.377191
H 5.153478 2.189954 -1.945501
H -1.718734 -0.789907 -1.313906
H -2.097850 -2.448608 -1.912852
H 1.587582 -0.856495 -0.063979
H 5.772855 -0.574544 -3.787298
H -4.350587 2.118264 2.560440
H 5.287448 -2.998885 -2.582104
H -0.545128 -0.713207 0.822160
H -6.175254 -1.297555 2.271647
H -5.807016 -2.297567 -0.373091
H 3.834259 -3.794625 -0.457230
H 3.822425 -2.574093 0.870983
H 0.146971 -2.425129 -0.985763
H 1.628295 -3.271886 0.525914


