%chk=000059052.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059052

0 1
 O   -1.335200      -2.819300      9.7400002E-02
 O    2.011100      -1.792800      0.5874000    
 N   -2.995600      0.2358000     -0.5483000    
 C   -3.065600      0.3207000      0.9172000    
 C   -4.254600      0.6749000      -1.166600    
 C   -3.358900       1.750700       1.373900    
 C   -4.586800       2.116200     -0.7780000    
 C   -4.636100       2.285300      0.7363000    
 C   -2.668100      -1.126800     -0.9669000    
 C   -1.341100      -1.578600     -0.4178000    
 C  -0.1380000     -0.9683000     -0.3414000    
 C   0.7130000      -1.912100      0.2817000    
 C  -6.2500000E-02  -3.021000      0.5288000    
 C    2.738300     -0.6440000      0.3111000    
 C    2.793800      0.3590000       1.260000    
 C    3.386700     -0.5359000     -0.9045000    
 C    4.187200       1.644100     -0.2377000    
 C    3.525100       1.514100      0.9829000    
 C    4.118000      0.6192000      -1.181500    
 C    4.969200       2.878700     -0.5340000    
 H   -2.121900      3.2499999E-02   1.391800    
 H   -3.840700     -0.3523000       1.308300    
 H   -5.083600      1.5799999E-02 -0.8765000    
 H   -4.168200      0.6279000      -2.259000    
 H   -2.516400       2.401800       1.107500    
 H   -3.452400       1.779300       2.465500    
 H   -5.550100       2.404400      -1.213500    
 H   -3.831100       2.793000      -1.196700    
 H   -5.500700       1.742200       1.137200    
 H   -4.771400       3.341700      0.9930000    
 H   -2.596800      -1.172300      -2.061100    
 H   -3.454400      -1.831400     -0.6649000    
 H   0.1067000      2.6000001E-02 -0.6874000    
 H   0.1299000      -3.983600      0.9801000    
 H    2.280200      0.2593000       2.211500    
 H    3.335300      -1.333000      -1.639800    
 H    3.573000       2.304600       1.727100    
 H    4.631100      0.7079000      -2.135400    
 H    6.004600       2.756600     -0.2008000    
 H    4.969300       3.098500      -1.607100    
 H    4.538400       3.750100     -2.9100001E-02


%chk=000059052-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059052

0 1
O -1.047954 -2.745918 -0.084745
O 1.924086 -1.186015 1.259195
N -3.248764 0.180824 -0.474694
C -3.715519 0.080132 0.933148
C -4.316358 0.694912 -1.371006
C -4.173805 1.453625 1.461207
C -4.791527 2.088750 -0.913594
C -5.274717 2.050247 0.554558
C -2.669936 -1.090372 -0.968331
C -1.342780 -1.382620 -0.326591
C -0.282550 -0.596577 0.088203
C 0.724899 -1.504312 0.606219
C 0.241391 -2.795166 0.482921
C 2.820327 -0.252916 0.670768
C 3.798568 0.276983 1.541108
C 2.802270 0.102356 -0.695071
C 4.763754 1.563377 -0.331544
C 4.759087 1.174929 1.035693
C 3.774193 1.008219 -1.179763
C 5.792887 2.550127 -0.856909
H -2.883930 -0.308187 1.548034
H -4.563627 -0.651035 1.017218
H -5.196912 -0.001859 -1.396109
H -3.911077 0.750871 -2.399332
H -3.301603 2.135169 1.485403
H -4.540589 1.342442 2.499686
H -5.600988 2.438346 -1.583100
H -3.947267 2.798926 -1.007015
H -6.187421 1.422231 0.623786
H -5.554013 3.064577 0.896870
H -2.542771 -0.995773 -2.065585
H -3.338811 -1.972879 -0.801009
H -0.242366 0.488685 0.041934
H 0.630453 -3.772807 0.745349
H 3.791833 -0.024699 2.592845
H 2.056255 -0.324925 -1.371931
H 5.517907 1.583345 1.714378
H 3.760540 1.281007 -2.241883
H 6.816202 2.274827 -0.541434
H 5.781190 2.597388 -1.959611
H 5.600141 3.572665 -0.478566


