%chk=000091323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091323

0 1
 O   -7.182700      0.3585000       1.058100    
 O  -0.6192000      -2.178700       1.081900    
 O    1.106300       2.135700       1.948400    
 O    4.052700      -2.223800     -0.9743000    
 O    3.490300       2.666500       1.103500    
 N   -5.936400      0.6236000     -0.9214000    
 N    1.680200      -2.962200     -0.2180000    
 C   -5.431200       1.726100      -1.704700    
 C   -6.325700       2.878500      -1.293700    
 C   -6.703200       2.553100      0.1466000    
 C   -6.676600       1.043000      0.1815000    
 C   -5.569400     -0.7449000      -1.213900    
 C   -4.261000      -1.123200     -0.6072000    
 C    2.640300     -0.7266000      0.2030000    
 C    2.497100      0.5523000      0.7452000    
 C   -4.218900      -1.666800      0.6766000    
 C   -3.078800     -0.9341000      -1.323300    
 C    1.595500      -1.652100      0.3119000    
 C    4.982500     -0.1262000     -0.5947000    
 C    4.839300       1.152700     -5.2600000E-02
 C    3.888000      -1.112500     -0.4871000    
 C   0.4134000      -1.295900      0.9620000    
 C    3.591400       1.538600      0.6375000    
 C   -1.832800      -1.825700      0.5193000    
 C    1.309400      0.9056000       1.396800    
 C   -2.994900      -2.020300       1.244700    
 C   -1.855000      -1.289000     -0.7558000    
 C   0.2708000     -1.9900000E-02   1.503300    
 C    6.170200     -0.4794000      -1.246400    
 C    5.883800       2.078500     -0.1618000    
 C    7.208700      0.4462000      -1.353200    
 C    7.065800       1.722500     -0.8120000    
 H   -5.502700       1.510200      -2.774500    
 H   -4.388000       1.906300      -1.426100    
 H   -7.230700       2.884900      -1.914100    
 H   -5.840100       3.852600      -1.398400    
 H   -7.694100       2.934600      0.4039000    
 H   -5.957700       2.934000      0.8515000    
 H   -5.561800     -0.8856000      -2.301300    
 H   -6.356400      -1.401600     -0.8226000    
 H   -5.131600      -1.819900       1.246300    
 H   -3.098600     -0.5153000      -2.326000    
 H   -2.963700      -2.442700       2.244500    
 H  -0.9517000      -1.149400      -1.342000    
 H  -0.6468000      0.2518000       2.020500    
 H    6.308900      -1.467200      -1.677700    
 H    5.798800       3.080100      0.2510000    
 H    8.129900      0.1715000      -1.859000    
 H    7.875900       2.441200     -0.8966000    
 H   0.8957000      -3.592800     -0.1149000    
 H    2.509900      -3.277000     -0.6997000    
 H   0.2203000       2.173300       2.347000    


%chk=000091323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091323

0 1
O -7.721961 -0.934687 0.740315
O -0.508956 -1.690331 0.086709
O 1.509694 2.776008 -0.169887
O 4.471050 -2.597354 0.174898
O 4.147608 2.914583 -0.199295
N -6.574944 0.563780 -0.672871
N 1.894249 -2.830573 0.147641
C -6.274649 2.005113 -0.779653
C -7.403508 2.662902 0.068496
C -7.821509 1.557292 1.072399
C -7.407405 0.241759 0.396304
C -5.922450 -0.464662 -1.496841
C -4.476184 -0.743417 -1.091389
C 3.045241 -0.643601 0.031522
C 2.946278 0.801474 -0.058957
C -4.199773 -1.327332 0.173252
C -3.396505 -0.447646 -1.958919
C 1.863912 -1.462753 0.062598
C 5.584369 -0.475349 0.061197
C 5.496868 0.939761 -0.034024
C 4.357387 -1.310218 0.092880
C 0.584512 -0.806677 0.002245
C 4.174120 1.643915 -0.103851
C -1.817694 -1.290649 -0.315875
C 1.652271 1.387963 -0.099929
C -2.873696 -1.600105 0.566869
C -2.061847 -0.721293 -1.583780
C 0.479749 0.578122 -0.069014
C 6.855468 -1.103156 0.125216
C 6.684349 1.713420 -0.064473
C 8.029255 -0.327771 0.095129
C 7.943179 1.086363 -0.000376
H -6.294441 2.331162 -1.836190
H -5.267237 2.229777 -0.372337
H -8.255225 2.919585 -0.585106
H -7.060290 3.587195 0.560954
H -8.899016 1.545518 1.301880
H -7.280540 1.637287 2.034337
H -5.970752 -0.156409 -2.558479
H -6.531466 -1.379809 -1.371119
H -5.032777 -1.573421 0.841585
H -3.595754 -0.013708 -2.946309
H -2.646755 -2.057449 1.534372
H -1.232733 -0.515190 -2.268035
H -0.511005 1.047176 -0.092033
H 6.887895 -2.194411 0.197632
H 6.584652 2.800820 -0.138195
H 9.009506 -0.814111 0.145377
H 8.857675 1.689093 -0.023675
H 1.015863 -3.344943 0.172977
H 2.831849 -3.262877 0.190577
H 0.547470 3.018932 -0.174749


