%chk=000078115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078115

0 1
 O   -4.003900       1.397700       2.261400    
 O   -3.123200       2.874500      -2.252500    
 O  -0.9627000      -4.126900      -2.251000    
 O   0.7891000      -4.166300       2.253600    
 O    4.062400       1.217000      -2.262300    
 O    3.244100       2.753400       2.246900    
 N   -2.302100       1.411100      7.1999999E-03
 N  -6.4599998E-02  -2.699800      5.2999998E-03
 N    2.377200       1.303500     -7.0000002E-03
 N   -1.215500     -0.6570000      7.0000002E-03
 N   3.3900000E-02   1.391600      8.9999998E-04
 N    1.183300     -0.7147000      3.0000001E-04
 C   -1.105600      0.6813000      4.9999999E-03
 C  -3.0600000E-02  -1.288700      4.4000000E-03
 C    1.137900      0.6273000     -1.4000000E-03
 C   -3.587500      0.7113000     -2.4000001E-03
 C   -2.302700       2.855500      4.9000001E-03
 C   -1.331700      -3.402200      8.9999996E-03
 C    1.167100      -3.462500     -1.1600000E-02
 C    3.618900      0.5572000      4.1999999E-03
 C    2.421600       2.751600     -9.8000001E-03
 C   -3.946200      0.2642000       1.404500    
 C   -2.093400       3.373200      -1.408000    
 C   -1.893400      -3.468500      -1.401000    
 C    1.740800      -3.554300       1.392200    
 C    3.957400      9.0200000E-02  -1.401200    
 C    2.229300       3.280100       1.401400    
 H   -3.576800     -0.1406000     -0.6927000    
 H   -4.371700       1.386600     -0.3664000    
 H   -1.540800       3.261700      0.6810000    
 H   -3.264700       3.230000      0.3764000    
 H   -2.052200      -2.936400      0.6921000    
 H   -1.186900      -4.425800      0.3767000    
 H    1.901200      -3.032600     -0.7035000    
 H   0.9699000      -4.478800     -0.3749000    
 H    3.575400     -0.2927000      0.6957000    
 H    4.433800       1.197300      0.3648000    
 H    1.675000       3.179400     -0.6894000    
 H    3.396400       3.091500     -0.3813000    
 H   -3.212000     -0.4372000       1.812100    
 H   -4.927400     -0.2211000       1.405700    
 H   -1.129200       3.060000      -1.820000    
 H   -2.136300       4.466900      -1.418100    
 H   -2.089400      -2.473400      -1.811700    
 H   -2.829100      -4.036300      -1.406400    
 H    1.989400      -2.569600       1.799400    
 H    2.648100      -4.166600       1.388000    
 H    3.194000     -0.5813000      -1.805900    
 H    4.917100     -0.4361000      -1.401300    
 H    1.256500       2.998700       1.815900    
 H    2.306000       4.372100       1.407400    
 H   -4.246400       1.074400       3.145800    
 H   -2.962200       3.234400      -3.141400    
 H   -1.360400      -4.160000      -3.137700    
 H    1.194800      -4.217800       3.135900    
 H    4.290400      0.8806000      -3.145700    
 H    3.095200       3.121400       3.134500    


%chk=000078115-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078115

0 1
O -4.501254 1.584614 2.038475
O -3.474332 3.233726 -2.056173
O -1.098462 -4.626484 -2.039709
O 0.899905 -4.656627 2.049434
O 4.554867 1.398876 -2.045801
O 3.632480 3.076303 2.045089
N -2.327384 1.408970 0.003520
N -0.062201 -2.720138 0.000429
N 2.381073 1.305535 -0.003843
N -1.240438 -0.680591 0.007598
N 0.027936 1.409042 0.002569
N 1.203327 -0.734190 -0.008402
C -1.147656 0.692814 0.004942
C -0.032417 -1.340507 -0.000455
C 1.170919 0.641951 -0.003215
C -3.626795 0.714163 -0.048443
C -2.310718 2.882629 0.041866
C -1.345171 -3.443367 0.061761
C 1.188991 -3.497376 -0.059801
C 3.648974 0.554243 0.038854
C 2.430038 2.778618 -0.040008
C -4.165988 0.330578 1.334044
C -2.211791 3.523446 -1.347201
C -1.973706 -3.682800 -1.315626
C 1.811241 -3.754405 1.317234
C 4.165812 0.156502 -1.348169
C 2.375278 3.420659 1.350881
H -3.507159 -0.209421 -0.639762
H -4.343746 1.376895 -0.561072
H -1.438775 3.208291 0.633901
H -3.231866 3.217957 0.546936
H -2.053847 -2.851779 0.665719
H -1.165101 -4.407862 0.565211
H 1.920300 -2.940258 -0.669550
H 0.966484 -4.456235 -0.556737
H 3.490579 -0.367180 0.624268
H 4.395835 1.181531 0.553259
H 1.566702 3.143761 -0.621502
H 3.359496 3.073174 -0.555361
H -3.397420 -0.249014 1.883402
H -5.075334 -0.296762 1.205829
H -1.339758 3.102661 -1.886531
H -2.075763 4.621035 -1.230370
H -2.062952 -2.718583 -1.854903
H -2.986894 -4.120730 -1.179098
H 1.941835 -2.791472 1.850285
H 2.805035 -4.234654 1.180487
H 3.370011 -0.383901 -1.898785
H 5.046405 -0.511976 -1.227630
H 1.492401 3.036784 1.900191
H 2.285028 4.523255 1.236942
H -4.737711 1.383209 2.977817
H -3.399949 3.527802 -2.997863
H -1.403054 -4.707190 -2.977497
H 1.202975 -4.743311 2.987181
H 4.779528 1.192999 -2.987078
H 3.581789 3.373288 2.987459


