%chk=000056796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056796

0 1
 O    5.322800      0.3296000     -0.5684000    
 O  -0.8689000      -2.526100      6.0999999E-03
 N    2.676500     -0.2303000      0.3177000    
 C   0.2636000     -0.4035000     -0.1487000    
 C   3.7000000E-03  0.9124000      0.5783000    
 C   -1.198700       1.647600     -3.3000000E-02
 C    1.500900      -1.091800      0.4244000    
 C   -2.422600      0.7469000     -6.4900003E-02
 C  -0.9575000      -1.302100     -4.0500000E-02
 C   -2.296700     -0.6554000     -6.4000003E-02
 C    2.965300      8.6499996E-02  -1.087900    
 C    3.846200     -0.8644000      0.9414000    
 C   -1.399700       2.963100      0.7317000    
 C    4.202800      0.9753000      -1.175100    
 C    5.062400      4.7600001E-02  0.8071000    
 C   -3.716800       1.288800     -0.1569000    
 C   -3.432900      -1.478100     -0.1025000    
 C   -4.846000      0.4679000     -0.1993000    
 C   -4.704400     -0.9141000     -0.1655000    
 H   0.3718000     -0.2324000      -1.226200    
 H   0.8765000       1.573300      0.5216000    
 H  -0.1818000      0.7192000       1.644600    
 H  -0.9582000       1.898100      -1.075300    
 H    1.672700      -2.047500     -8.9299999E-02
 H    1.316600      -1.336300       1.479300    
 H    2.158000      0.6482000      -1.564900    
 H    3.133800     -0.8337000      -1.662100    
 H    4.058600      -1.828100      0.4605000    
 H    3.657200      -1.049400       2.004900    
 H  -0.4613000       3.525400      0.7943000    
 H   -2.123000       3.615000      0.2318000    
 H   -1.755000       2.782200       1.752400    
 H    4.037400       1.948100     -0.6958000    
 H    4.455400       1.161700      -2.223900    
 H    5.947300     -0.4485000       1.218300    
 H    4.925200      0.9884000       1.354200    
 H   -3.872100       2.363000     -0.2016000    
 H   -3.347100      -2.561600     -9.4499998E-02
 H   -5.835600      0.9112000     -0.2628000    
 H   -5.582000      -1.552700     -0.1993000    


%chk=000056796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056796

0 1
O 5.516097 0.307489 -0.496582
O -0.866589 -2.534216 -0.244279
N 2.731332 -0.260304 0.137018
C 0.234499 -0.346663 -0.163430
C -0.058548 0.920650 0.668561
C -1.264029 1.708169 0.103836
C 1.508857 -1.088759 0.301314
C -2.493224 0.795174 -0.006866
C -0.987296 -1.273047 -0.180140
C -2.337617 -0.621476 -0.138916
C 3.211483 -0.212192 -1.269025
C 3.836004 -0.699915 1.030270
C -1.511295 2.996787 0.922380
C 4.419940 0.732019 -1.382352
C 5.033085 0.254453 0.893879
C -3.810016 1.320406 0.000420
C -3.478517 -1.461914 -0.252735
C -4.938308 0.480386 -0.117906
C -4.775597 -0.920725 -0.244489
H 0.373808 -0.020676 -1.220410
H 0.847934 1.552538 0.671309
H -0.265241 0.634337 1.721008
H -0.992444 2.016141 -0.932201
H 1.582117 -2.063791 -0.232744
H 1.399978 -1.324341 1.377706
H 2.402796 0.159097 -1.926338
H 3.503691 -1.230266 -1.631050
H 4.171017 -1.740357 0.790246
H 3.476282 -0.690137 2.076681
H -0.569096 3.566999 1.015235
H -2.251996 3.664826 0.448141
H -1.867888 2.756935 1.940956
H 4.107572 1.766866 -1.121776
H 4.842427 0.716943 -2.400729
H 5.891977 -0.094105 1.490985
H 4.734858 1.273028 1.224818
H -3.962211 2.399174 0.105638
H -3.307627 -2.539477 -0.348319
H -5.943603 0.917038 -0.108711
H -5.650212 -1.573593 -0.335207


