%chk=000176904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176904

0 1
 O    3.719600     -0.9798000       1.012400    
 O   0.9611000      -2.129500     -0.3355000    
 O   0.9628000       2.615000     -0.6067000    
 O   -3.870200       1.475800      0.2327000    
 O   -5.135400     -0.5466000      0.5517000    
 N   -1.031900       1.511800     -0.2253000    
 C    4.712900     -3.6200002E-02  0.5910000    
 C    3.272300      0.2953000      0.5892000    
 C    2.477000      0.2215000     -0.7118000    
 C    5.653600      0.3903000       1.654700    
 C    5.359900     -0.3852000     -0.6965000    
 C    1.004400      0.2392000     -0.4784000    
 C   0.2923000     -0.9388000     -0.2968000    
 C   0.3013000       1.426900     -0.4340000    
 C   -1.091100     -0.9020000     -7.7600002E-02
 C   -1.717400      0.3638000     -4.9699999E-02
 C   -3.081100      0.3626000      0.1691000    
 C   -1.845100      -2.085700      0.1111000    
 C   -3.811600     -0.7917000      0.3526000    
 C   -3.221400      -2.034100      0.3290000    
 C   -5.165000      0.8914000      0.4738000    
 C    1.076100      -2.762900      -1.606300    
 C   0.1769000       3.799000     -0.5488000    
 H    2.897600       1.002300       1.316000    
 H    2.753000     -0.6538000      -1.307000    
 H    2.767500       1.076500      -1.335500    
 H    5.126100      0.6392000       2.582100    
 H    6.372300     -0.4029000       1.885800    
 H    6.211100       1.279600       1.342800    
 H    4.860600      -1.207800      -1.219100    
 H    5.385400      0.4838000      -1.362700    
 H    6.396200     -0.7087000     -0.5450000    
 H   -1.368300      -3.063200      0.1003000    
 H   -3.797100      -2.940600      0.4756000    
 H   -5.839500       1.185500     -0.3384000    
 H   -5.558100       1.286500       1.417500    
 H    1.954000      -3.414500      -1.585600    
 H    1.196900      -2.039600      -2.419700    
 H   0.1919000      -3.378200      -1.796000    
 H  -0.5756000       3.811400      -1.344400    
 H   0.8436000       4.652600     -0.7038000    
 H  -0.2917000       3.912800      0.4346000    


%chk=000176904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176904

0 1
O 3.618809 -0.460946 1.470696
O 0.915920 -2.315225 -0.720542
O 1.096631 2.500860 -0.496802
O -3.931078 1.449099 0.367597
O -5.218294 -0.566525 0.566767
N -0.982657 1.458303 -0.162814
C 4.765464 0.162840 0.676270
C 3.342131 0.565060 0.391752
C 2.548997 0.107933 -0.831040
C 5.633510 1.108900 1.493702
C 5.523227 -0.809907 -0.215318
C 1.053199 0.107631 -0.586443
C 0.290807 -1.062367 -0.526567
C 0.325751 1.344450 -0.394508
C -1.124978 -1.030397 -0.233614
C -1.716712 0.288410 -0.067535
C -3.104780 0.309306 0.207345
C -1.911312 -2.215084 -0.094456
C -3.852885 -0.867622 0.322498
C -3.288705 -2.151023 0.182058
C -5.242135 0.902651 0.807672
C 0.780370 -2.854811 -2.090796
C 0.375084 3.782136 -0.338216
H 3.013806 1.531014 0.799572
H 2.863300 -0.908146 -1.116644
H 2.787761 0.804561 -1.659336
H 5.011746 1.750221 2.141076
H 6.326488 0.539776 2.140546
H 6.237839 1.757886 0.831625
H 4.852599 -1.555507 -0.670867
H 6.053446 -0.268182 -1.021621
H 6.278406 -1.356093 0.379046
H -1.412011 -3.185219 -0.169865
H -3.898883 -3.049732 0.298061
H -6.041252 1.353508 0.199830
H -5.364369 1.085960 1.892394
H 1.266742 -3.841646 -2.067680
H 1.291132 -2.197989 -2.821767
H -0.283333 -2.961752 -2.377040
H -0.412233 3.878940 -1.104422
H 1.152880 4.550260 -0.461221
H -0.094530 3.839465 0.658006


