%chk=000115595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115595

0 1
 O   -1.295300     -0.9770000       2.371700    
 O  -0.4757000     -0.2343000      -2.276400    
 O   -4.303300       1.251200     -0.2589000    
 N   -2.742700      0.1975000       1.053700    
 N   -2.350200      0.5361000      -1.229600    
 C  -0.5084000     -0.3511000      0.1582000    
 C   0.5574000      0.7186000      0.5497000    
 C    1.823400      0.3197000     -0.2398000    
 C   0.3807000      -1.627000      0.1580000    
 C    1.729600      -1.202000     -0.4374000    
 C    3.113800      0.7344000      0.4578000    
 C   0.1559000       2.174400      0.3195000    
 C   -1.534800     -0.4351000       1.291600    
 C   -1.092600     -4.4399999E-02  -1.227900    
 C  -0.2218000      -2.852300     -0.5200000    
 C    4.339200      0.3463000     -0.3644000    
 C   -3.202100      0.7093000     -0.1496000    
 C    5.626800      0.7356000      0.3439000    
 H   0.7722000      0.6191000       1.624400    
 H    1.798900      0.7957000      -1.229500    
 H   0.5842000      -1.922400       1.197400    
 H    1.794400      -1.442800      -1.504900    
 H    2.529900      -1.756400      6.4499997E-02
 H    3.172300      0.2659000       1.448500    
 H    3.116600       1.818800      0.6198000    
 H  -1.5000000E-03   2.395200     -0.7408000    
 H  -0.7628000       2.418500      0.8612000    
 H   0.9375000       2.850700      0.6808000    
 H  -0.3598000      -2.709700      -1.595400    
 H   0.4362000      -3.718400     -0.3892000    
 H   -1.193400      -3.101000     -8.1299998E-02
 H    4.303400      0.8452000      -1.340100    
 H    4.370300     -0.7305000     -0.5568000    
 H   -3.391400      0.2379000       1.834900    
 H   -2.707500      0.8312000      -2.134000    
 H    5.667000       1.815300      0.5205000    
 H    5.713700      0.2257000       1.308700    
 H    6.493200      0.4595000     -0.2652000    


%chk=000115595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115595

0 1
O -1.185990 -0.466449 2.525035
O -0.407628 0.181550 -2.244994
O -4.661438 0.438136 -0.416577
N -2.876856 -0.015139 1.025424
N -2.492017 0.291939 -1.278974
C -0.506332 -0.200974 0.184938
C 0.653110 0.820081 0.537258
C 1.900562 0.321021 -0.258335
C 0.302698 -1.566617 0.155901
C 1.661973 -1.203226 -0.504380
C 3.220298 0.646807 0.482069
C 0.303035 2.302767 0.317878
C -1.521408 -0.239599 1.331645
C -1.097060 0.100655 -1.192528
C -0.429477 -2.753978 -0.492961
C 4.485669 0.389560 -0.368123
C -3.432540 0.251752 -0.237020
C 5.791255 0.700072 0.395160
H 0.839537 0.651806 1.618161
H 1.911034 0.834918 -1.238683
H 0.474468 -1.792406 1.227172
H 1.620762 -1.413877 -1.586853
H 2.469706 -1.824208 -0.072092
H 3.273605 0.045502 1.414691
H 3.217229 1.711671 0.797251
H 0.080885 2.513005 -0.744473
H -0.563182 2.618688 0.929362
H 1.157353 2.940056 0.609561
H -0.633988 -2.565954 -1.563037
H 0.199587 -3.660560 -0.432195
H -1.385169 -2.982468 0.015719
H 4.435549 1.007134 -1.288049
H 4.496882 -0.666638 -0.705032
H -3.539784 -0.049324 1.806868
H -2.870360 0.487351 -2.212058
H 5.818902 1.757477 0.720126
H 5.881035 0.069751 1.300028
H 6.681396 0.517121 -0.234282


