%chk=000097367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097367

0 1
 O    1.250300      0.2523000      0.5761000    
 O   -3.134400      0.3174000      0.7853000    
 O    2.332800      -1.158800       2.083700    
 O   -2.755700     -0.7402000       2.788500    
 O    6.930800       1.894800      -1.627900    
 O    6.695100       3.383900     -3.2400001E-02
 N   -1.117300     -0.6048000       1.150900    
 N    6.269100       2.405600     -0.6924000    
 C  -6.9700003E-02  -1.313100       1.842400    
 C  -0.1509000      -2.824300       1.580000    
 C   6.9899999E-02  -3.226700      0.1392000    
 C    1.314600     -0.7575000       1.528400    
 C    1.357200      -3.512500     -0.3159000    
 C   -1.013800      -3.311700     -0.7351000    
 C   -2.371900     -0.3777000       1.681300    
 C    1.560600      -3.883400      -1.645000    
 C  -0.8102000      -3.682700      -2.064300    
 C   0.4769000      -3.968400      -2.519200    
 C    2.500700      0.7886000      0.2603000    
 C   -4.468300      0.6243000       1.206300    
 C   -5.163900       1.383600      0.1150000    
 C    2.995200       1.876000      0.9806000    
 C    3.254700      0.2368000     -0.7754000    
 C   -5.097400       2.776600      8.2900003E-02
 C   -5.876600      0.6967000     -0.8680000    
 C    4.244000       2.411700      0.6650000    
 C    4.503300      0.7724000      -1.090900    
 C    4.998000       1.859800     -0.3707000    
 C   -5.743800       3.482700     -0.9317000    
 C   -6.522900       1.402800      -1.882600    
 C   -6.456400       2.795800      -1.914400    
 H  -0.2224000      -1.139000       2.915400    
 H   -1.127400      -3.205900       1.907600    
 H   0.5875000      -3.345000       2.204500    
 H  -0.9302000     -0.2592000      0.2142000    
 H    2.210700      -3.455200      0.3539000    
 H   -2.022000      -3.093100     -0.3935000    
 H    2.562800      -4.106200      -1.999300    
 H   -1.654000      -3.749100      -2.744800    
 H   0.6354000      -4.257200      -3.554100    
 H   -5.009900     -0.3042000       1.425800    
 H   -4.437900       1.224100       2.124500    
 H    2.411600       2.309900       1.787900    
 H    2.873700     -0.6093000      -1.340600    
 H   -4.543400       3.322900      0.8417000    
 H   -5.933800     -0.3885000     -0.8551000    
 H    4.597300       3.258900       1.247300    
 H    5.062500      0.3169000      -1.904200    
 H   -5.691600       4.567200     -0.9570000    
 H   -7.077300      0.8681000      -2.648300    
 H   -6.959300       3.345500      -2.704700    


%chk=000097367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097367

0 1
O 1.053615 0.084887 0.160972
O -3.423744 -0.485483 -0.543421
O 1.596984 0.045726 2.450228
O -3.410484 -0.778288 1.805672
O 6.365431 1.707767 -2.956093
O 6.396374 3.287108 -1.309665
N -1.438466 -0.636466 0.549103
N 5.871943 2.265878 -1.900883
C -0.562955 -0.860494 1.696596
C -0.325077 -2.390682 2.012267
C 0.395334 -3.131676 0.899627
C 0.790362 -0.178290 1.533037
C 1.805709 -3.292419 0.933504
C -0.320379 -3.643721 -0.214320
C -2.805095 -0.640724 0.706863
C 2.485815 -3.938441 -0.123444
C 0.357024 -4.288960 -1.273875
C 1.763436 -4.435644 -1.233557
C 2.290887 0.638957 -0.272541
C -4.923295 -0.350619 -0.508569
C -5.348820 1.093962 -0.363262
C 2.879391 1.758910 0.357343
C 2.855258 0.041909 -1.421037
C -5.488169 1.674451 0.924620
C -5.610865 1.884893 -1.510618
C 4.064091 2.293808 -0.182539
C 4.037049 0.577993 -1.963017
C 4.625138 1.698117 -1.333683
C -5.876950 3.025497 1.058783
C -6.001126 3.236111 -1.377303
C -6.134500 3.809024 -0.090975
H -1.050123 -0.428649 2.590240
H -1.328365 -2.814644 2.197363
H 0.244576 -2.444863 2.957553
H -1.034397 -0.528000 -0.381752
H 2.371633 -2.915993 1.794947
H -1.411899 -3.544419 -0.245828
H 3.573834 -4.060544 -0.077338
H -0.210866 -4.684046 -2.123769
H 2.288375 -4.943766 -2.050262
H -5.228105 -0.775197 -1.477852
H -5.295909 -0.973082 0.323081
H 2.427394 2.198383 1.248546
H 2.367736 -0.831072 -1.864139
H -5.277476 1.063948 1.810038
H -5.506451 1.441507 -2.508688
H 4.555740 3.159135 0.268815
H 4.508220 0.148701 -2.850465
H -5.982627 3.466052 2.056434
H -6.203480 3.838691 -2.269790
H -6.439423 4.856369 0.014257


