%chk=000081202.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081202

0 1
 O    7.034400       2.966500      0.8161000    
 O    7.484900       1.766100     -0.9658000    
 N    6.789200       2.010700      4.5699999E-02
 N    2.353700      -1.162500       1.384800    
 N   0.2961000      -1.459200       1.258000    
 N    1.324400     -0.6944000      0.8558000    
 N   -4.940300     -0.4085000     -0.4200000    
 N   -5.496100      0.3787000      0.3818000    
 C    5.336200      7.6099999E-02 -0.4840000    
 C    4.217900     -0.7216000     -0.1438000    
 C    5.675000       1.167900      0.3319000    
 C    3.471100     -0.4041000       1.002400    
 C    6.083100     -0.2414000      -1.630300    
 C    3.879300      -1.813300     -0.9596000    
 C    4.921700       1.468800       1.467000    
 C    3.821900      0.6844000       1.801600    
 C    5.732200      -1.329900      -2.429500    
 C    4.632500      -2.114300      -2.094800    
 C   -1.014300      -1.196900      0.8364000    
 C   -2.070900      -2.004100       1.272100    
 C   -1.278900     -0.1244000     -2.2600001E-02
 C   -3.632000     -0.6715000     -2.2000000E-03
 C   -3.375800      -1.742300      0.8540000    
 C   -2.583600      0.1375000     -0.4405000    
 C   -6.810900      0.6435000     -3.7799999E-02
 C   -7.852700     -0.1659000      0.4039000    
 C   -7.060600       1.713100     -0.8916000    
 C   -9.157900      9.6900001E-02 -1.2600000E-02
 C   -8.365700       1.976000      -1.308100    
 C   -9.414200       1.167900     -0.8685000    
 H    6.951100      0.2410000      -2.042900    
 H    3.030000      -2.453100     -0.7313000    
 H    5.155400       2.305500       2.120600    
 H    3.243400      0.9282000       2.689400    
 H    6.315600      -1.568700      -3.314600    
 H    4.360600      -2.961900      -2.717100    
 H   -1.885700      -2.841900       1.939900    
 H  -0.4865000      0.5262000     -0.3838000    
 H   0.4708000      -2.240800       1.877500    
 H   -4.185900      -2.378600       1.200700    
 H   -2.773700      0.9738000      -1.108200    
 H   -7.661800      -1.001900       1.071500    
 H   -6.249700       2.348000      -1.238300    
 H   -9.974400     -0.5322000      0.3297000    
 H   -8.565500       2.810100      -1.974500    
 H   -10.43030       1.372800      -1.192800    


%chk=000081202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081202

0 1
O 6.891157 3.071612 -1.780644
O 8.242092 1.255452 -1.592798
N 7.081362 1.822020 -1.488353
N 2.352903 -0.996794 0.134412
N 0.162787 -1.121243 0.341063
N 1.213513 -0.363111 -0.065504
N -5.208830 0.616724 -0.060914
N -6.146035 -0.204039 0.350701
C 6.020844 -0.290083 -0.453195
C 4.776471 -0.938043 -0.058929
C 5.914276 1.031183 -1.034961
C 3.506146 -0.271378 -0.268806
C 7.250732 -0.992730 -0.211993
C 4.816761 -2.238846 0.540664
C 4.667835 1.658039 -1.213833
C 3.472015 1.017915 -0.842498
C 7.250535 -2.257659 0.382027
C 6.029849 -2.891091 0.759397
C -1.169256 -0.680250 0.238287
C -2.199129 -1.558464 0.686281
C -1.497542 0.596184 -0.292987
C -3.881685 0.109769 0.072919
C -3.541303 -1.168954 0.604933
C -2.845570 0.977745 -0.370091
C -7.479447 0.299166 0.218731
C -7.821005 1.580139 -0.304629
C -8.502335 -0.584310 0.656518
C -9.173512 1.958367 -0.383147
C -9.855805 -0.196731 0.573744
C -10.194853 1.074793 0.053879
H 8.188452 -0.526470 -0.510483
H 3.867156 -2.698831 0.823026
H 4.654997 2.658822 -1.652390
H 2.510415 1.512983 -0.997705
H 8.204343 -2.767842 0.554994
H 6.047484 -3.884475 1.220047
H -1.935786 -2.542301 1.094708
H -0.700546 1.261031 -0.632950
H 0.377478 -2.052756 0.734187
H -4.346713 -1.827639 0.942376
H -3.130904 1.954217 -0.774154
H -7.017577 2.244944 -0.635859
H -8.208354 -1.561450 1.053876
H -9.442214 2.941980 -0.784471
H -10.642493 -0.879725 0.911610
H -11.245607 1.378430 -0.011489


