%chk=000086438.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086438

0 1
 O   -1.154000       1.601700      0.1429000    
 O    2.816500      -2.383900      0.3790000    
 O   0.1700000      -2.416000      -1.209400    
 O    1.007000      -1.863500       1.743600    
 N   0.5841000      -1.080800      -1.312700    
 C    1.205400       1.618600      0.4421000    
 C  -0.1177000       1.353600       1.083700    
 C    1.908100      0.6368000     -0.2254000    
 C    1.747300       2.901600      0.5200000    
 C   -2.313700      0.8881000      0.2983000    
 C    3.130300      0.8824000     -0.8189000    
 C   -3.096600      0.5651000     -0.8049000    
 C    1.354200     -0.7393000     -0.3243000    
 C    2.980400       3.175100     -7.1699999E-02
 C    3.671900       2.165500     -0.7410000    
 C   -2.694600      0.4922000       1.576300    
 C   -4.273700     -0.1622000     -0.6283000    
 C   -2.697400      0.9847000      -2.181200    
 C   -3.871700     -0.2351000       1.752900    
 C   -4.661200     -0.5623000      0.6506000    
 C    1.694800      -1.737200      0.7499000    
 C    3.273000      -3.378500       1.299700    
 C  -0.6627000      -2.706600      -2.321300    
 H  -0.1411000      0.3348000       1.480500    
 H  -0.2507000       2.028100       1.939900    
 H    1.218900       3.699200       1.035800    
 H    3.674000      0.1014000      -1.342300    
 H    3.402000       4.174300     -1.1900000E-02
 H    4.632000       2.378600      -1.201900    
 H   -2.130000      0.7520000       2.466300    
 H   -4.900600     -0.4245000      -1.476400    
 H   -3.351600      0.5526000      -2.945900    
 H   -2.748800       2.074500      -2.273000    
 H   -1.677200      0.6550000      -2.403400    
 H   -4.177900     -0.5404000       2.749200    
 H   -5.578600      -1.127000      0.7884000    
 H    4.182200      -3.828300      0.8920000    
 H    2.516900      -4.160600       1.418300    
 H    3.509900      -2.921200       2.265300    
 H   -1.557200      -2.076900      -2.301200    
 H  -0.9704000      -3.753700      -2.259000    
 H  -0.1161000      -2.556100      -3.257400    


%chk=000086438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086438

0 1
O -0.882912 1.189228 -0.322896
O 1.745595 -1.838368 -1.401579
O 0.057568 -2.471729 1.015360
O 3.327002 -2.244520 0.261299
N 0.337066 -1.070309 1.269239
C 1.057966 1.830907 0.969277
C -0.451401 1.700842 0.996618
C 1.934104 0.707317 0.806543
C 1.620859 3.121436 1.092995
C -2.177134 0.649105 -0.422929
C 3.338720 0.930882 0.763827
C -2.447716 -0.034219 -1.647259
C 1.449670 -0.693065 0.670559
C 3.017866 3.331762 1.065754
C 3.878704 2.226835 0.896631
C -3.163936 0.766523 0.585664
C -3.734587 -0.592483 -1.816377
C -1.368830 -0.152323 -2.703595
C -4.442048 0.194247 0.384178
C -4.732549 -0.488236 -0.815674
C 2.286683 -1.672860 -0.134288
C 2.439052 -2.824485 -2.272007
C -1.246768 -2.803106 1.619443
H -0.771714 0.990421 1.779501
H -0.918184 2.689670 1.176195
H 0.947573 3.980375 1.199587
H 4.013628 0.075318 0.658477
H 3.423841 4.344064 1.164801
H 4.964463 2.368499 0.871778
H -2.956179 1.305358 1.514955
H -3.955504 -1.122379 -2.751021
H -1.738893 -0.707543 -3.583037
H -1.025966 0.845014 -3.035701
H -0.476705 -0.668773 -2.302961
H -5.205103 0.290884 1.164840
H -5.721490 -0.930519 -0.976931
H 1.886948 -2.792654 -3.221047
H 2.390308 -3.825894 -1.813416
H 3.493724 -2.534275 -2.411496
H -1.219847 -2.636807 2.710786
H -1.389370 -3.872359 1.396583
H -2.049104 -2.199981 1.160524


