%chk=000086185.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086185

0 1
 O  -0.3699000     -0.9069000       1.434400    
 O   0.6712000      0.1750000     -0.3659000    
 N  -0.7930000      -1.685800     -0.8338000    
 C   0.1211000      -2.813300     -0.6413000    
 C  -0.5010000     -0.5402000      4.5100000E-02
 C   0.2102000      -3.173200      0.8435000    
 C   0.5817000      -1.944300       1.657500    
 C   -1.687100      0.4263000     -3.1900000E-02
 C  -0.3739000      -4.003400      -1.459900    
 C   0.9126000       1.289700      0.4762000    
 C    2.176200       1.996400      6.8999999E-03
 C    3.394000       1.077300      7.2600000E-02
 C   -2.042300      0.9887000      -1.254500    
 C   -2.402800      0.7359000       1.121100    
 C    4.665400       1.806900     -0.3599000    
 C   -3.122400       1.868500      -1.324800    
 C   -3.483000       1.615600       1.050700    
 C   -3.842700       2.181900     -0.1724000    
 C    5.885600      0.9049000     -0.2635000    
 H    1.118200      -2.533400      -1.004700    
 H   0.9502000      -3.965300       1.003100    
 H  -0.7604000      -3.552300       1.189200    
 H  -0.7687000      -1.392300      -1.809700    
 H   0.5731000      -2.182900       2.725500    
 H    1.586900      -1.587000       1.406600    
 H   0.2992000      -4.859300      -1.341200    
 H   -1.376400      -4.318300      -1.148800    
 H  -0.4130000      -3.757100      -2.526800    
 H   0.1066000       2.028000      0.4276000    
 H    1.049300      0.9856000       1.520000    
 H    2.040800       2.331700      -1.028800    
 H    2.344400       2.886500      0.6242000    
 H    3.243600      0.2025000     -0.5713000    
 H    3.516700      0.7049000       1.097200    
 H   -1.487300      0.7654000      -2.161500    
 H   -2.165100      0.3216000       2.095600    
 H    4.558800       2.160700      -1.391900    
 H    4.822000       2.689400      0.2713000    
 H   -3.401000       2.311600      -2.276500    
 H   -4.044600       1.860200       1.947600    
 H   -4.683300       2.867400     -0.2271000    
 H    6.039200      0.5610000      0.7643000    
 H    5.775600      2.6400000E-02 -0.9073000    
 H    6.783100       1.446600     -0.5783000    


%chk=000086185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086185

0 1
O -0.412077 -0.759290 1.537700
O 0.570480 0.325727 -0.379767
N -0.801447 -1.588418 -0.676399
C 0.272711 -2.611673 -0.622449
C -0.636905 -0.405088 0.137944
C 0.458255 -2.994509 0.864148
C 0.695440 -1.730497 1.706593
C -1.885749 0.473635 0.068960
C -0.130822 -3.816754 -1.487319
C 0.963805 1.529596 0.388965
C 2.319000 2.000453 -0.152349
C 3.464684 0.989156 0.075338
C -2.080571 1.312567 -1.055578
C -2.874351 0.415358 1.078305
C 4.822943 1.481702 -0.472954
C -3.259646 2.082094 -1.173535
C -4.048611 1.192527 0.964239
C -4.247490 2.023946 -0.162988
C 5.965309 0.467039 -0.249403
H 1.236482 -2.197424 -0.999713
H 1.320239 -3.680849 0.975361
H -0.452806 -3.512903 1.217185
H -1.172360 -1.389200 -1.610584
H 0.706560 -1.944761 2.787670
H 1.649619 -1.246237 1.416943
H 0.644210 -4.603187 -1.441792
H -1.087879 -4.239541 -1.132181
H -0.253663 -3.526045 -2.548362
H 0.190870 2.315453 0.265103
H 1.026021 1.273353 1.465572
H 2.219221 2.208581 -1.236429
H 2.569895 2.964336 0.337645
H 3.194445 0.029187 -0.406558
H 3.562325 0.784199 1.163081
H -1.296862 1.369549 -1.820447
H -2.708021 -0.234918 1.941281
H 4.721621 1.692637 -1.557359
H 5.084023 2.446897 0.008111
H -3.403969 2.729310 -2.046118
H -4.809862 1.146743 1.751400
H -5.161059 2.623127 -0.251174
H 6.108775 0.263127 0.828795
H 5.739991 -0.496362 -0.744959
H 6.925027 0.838958 -0.653520


