%chk=000147904.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147904

0 1
 O   -1.675300       2.227200      0.1424000    
 O    1.688000      -1.899000      0.1103000    
 O   -4.950800     -0.1524000      0.3069000    
 O    4.950900      0.1539000     -0.3055000    
 O   -3.555200      0.5968000      -1.355400    
 O    3.531100      -1.205400      0.8812000    
 N   0.9043000       2.763500     -0.3670000    
 N  -0.8913000      -2.435100      0.6234000    
 N   -2.736500     -0.2453000      0.6504000    
 N    2.749700      0.5737000     -0.3943000    
 C   0.6492000       3.727100      0.6986000    
 C    2.040300       3.290500      0.3819000    
 C   -2.027100      -2.961900     -0.1255000    
 C  -0.6361000      -3.398600     -0.4421000    
 C   0.5479000       1.459800     -0.1348000    
 C  -0.5347000      -1.131200      0.3911000    
 C   -1.400300     -0.1065000      0.4043000    
 C    1.413400      0.4350000     -0.1480000    
 C  -0.9007000       1.272300      0.1371000    
 C   0.9137000     -0.9438000      0.1186000    
 C   -3.726600      0.1131000     -0.2406000    
 C    3.721100     -0.2514000      0.1330000    
 C   -6.083000      0.1703000     -0.5083000    
 C    6.065400     -0.6135000      0.1631000    
 C   -7.353300     -0.1872000      0.2503000    
 C    7.344700     -2.8200001E-02 -0.4179000    
 C   -8.603800      0.1171000     -0.5696000    
 C    8.576300     -0.8104000      2.9400000E-02
 C   -9.868300     -0.2813000      0.1744000    
 C    9.847200     -0.2490000     -0.5875000    
 H   0.3132000       4.685700      0.3319000    
 H   0.2052000       3.358900       1.612800    
 H    2.666100       3.949000     -0.2019000    
 H    2.522900       2.669700       1.123300    
 H   -2.653400      -3.619500      0.4587000    
 H   -2.506100      -2.350900     -0.8760000    
 H  -0.1919000      -3.030500      -1.356200    
 H  -0.3002000      -4.357100     -7.5400002E-02
 H   -3.010700     -0.9240000       1.356200    
 H    3.066600       1.417100     -0.8630000    
 H   -6.028300     -0.4005000      -1.442700    
 H   -6.069800       1.242400     -0.7373000    
 H    6.096400     -0.5741000       1.258200    
 H    5.946500      -1.654700     -0.1588000    
 H   -7.325400      -1.250400      0.5202000    
 H   -7.377600      0.3619000       1.199800    
 H    7.274700     -2.3600001E-02  -1.513000    
 H    7.432700       1.023800     -0.1194000    
 H   -8.565000     -0.4222000      -1.523200    
 H   -8.644300       1.187300     -0.8035000    
 H    8.660600     -0.7790000       1.121900    
 H    8.474100      -1.863300     -0.2580000    
 H   -9.954500      0.2627000       1.120400    
 H   -10.75160     -5.3199999E-02 -0.4303000    
 H   -9.873900      -1.354000      0.3927000    
 H    9.996600      0.7955000     -0.2957000    
 H    10.71680     -0.8230000     -0.2524000    
 H    9.808100     -0.2986000      -1.680400    


%chk=000147904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147904

0 1
O -1.413933 1.879085 1.293028
O 1.412113 -1.987249 -1.363197
O -5.053409 -0.212007 0.335202
O 5.051904 0.110285 -0.403781
O -3.749187 -0.788358 -1.539124
O 3.746713 0.698873 1.466130
N 1.132478 2.447736 0.497176
N -1.136181 -2.555405 -0.569887
N -2.806076 -0.350718 0.592624
N 2.804225 0.240184 -0.661516
C 0.863957 3.576863 1.380874
C 2.286367 3.280849 0.854596
C -2.293205 -3.378844 -0.941374
C -0.870391 -3.677552 -1.464163
C 0.691415 1.188389 0.288493
C -0.693682 -1.296340 -0.359584
C -1.424561 -0.258249 0.231889
C 1.422715 0.149359 -0.301017
C -0.778735 0.975484 0.635976
C 0.776572 -1.083821 -0.705797
C -3.839445 -0.472886 -0.323219
C 3.837395 0.373370 0.252867
C -6.273308 -0.311567 -0.511420
C 6.271593 0.218163 0.442178
C -7.457920 0.097616 0.364374
C 7.457309 -0.192016 -0.431643
C -8.796197 0.021390 -0.408528
C 8.795241 -0.109596 0.341226
C -10.002100 0.430224 0.464355
C 10.002417 -0.518109 -0.530027
H 0.286690 4.403058 0.952338
H 0.633334 3.346736 2.425677
H 2.692936 3.903039 0.048667
H 3.015959 2.833239 1.535386
H -2.706982 -4.006617 -0.143546
H -3.017139 -2.919976 -1.620758
H -0.633668 -3.438423 -2.505535
H -0.299692 -4.511078 -1.041141
H -3.057904 0.131410 1.463040
H 3.056200 -0.250825 -1.527023
H -6.368179 -1.351968 -0.876683
H -6.153874 0.351954 -1.387939
H 6.363211 1.260726 0.802005
H 6.154342 -0.441160 1.322181
H -7.499848 -0.561805 1.252767
H -7.296210 1.127824 0.735466
H 7.297969 -1.224136 -0.798423
H 7.497966 0.463730 -1.322805
H -8.946672 -1.010078 -0.787366
H -8.746252 0.677839 -1.300920
H 8.942893 0.923525 0.716663
H 8.746853 -0.763196 1.235792
H -9.891948 1.467942 0.830879
H -10.948555 0.370152 -0.103121
H -10.093756 -0.229554 1.347433
H 10.092848 0.139282 -1.415006
H 10.948520 -0.454133 0.037615
H 9.894876 -1.557162 -0.893550


