%chk=000116097.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116097

0 1
 O    5.742800      0.4355000      0.7607000    
 O   -5.725400     -0.5454000      0.7195000    
 O    5.983200      -1.486800     -0.4533000    
 O   -6.014700       1.475100     -0.3105000    
 N    1.115900     -0.3667000     -0.7133000    
 N   -1.122200      0.5030000     -0.6719000    
 N    3.861400     -0.6701000      2.6200000E-02
 N   -3.872800      0.6693000      9.1600001E-02
 C   1.8000000E-03  0.1206000      -1.525600    
 C    1.853700      0.7590000     -0.1204000    
 C    2.015900      -1.204000      -1.520700    
 C   -1.831200     -0.6906000     -0.1865000    
 C   -2.043800       1.389500      -1.398300    
 C    2.999400      0.2587000      0.7604000    
 C    3.161300      -1.747900     -0.6675000    
 C   -2.987100     -0.3024000      0.7364000    
 C   -3.200500       1.823700     -0.4985000    
 C    5.257500     -0.6420000      6.8200000E-02
 C   -5.267700      0.6034000      0.1303000    
 C    7.168500      0.5368000      0.8525000    
 C   -7.148100     -0.6895000      0.8009000    
 C    7.524800       1.776400       1.645200    
 C   -7.472600      -2.005600       1.474800    
 H   0.3399000      0.9680000      -2.138700    
 H  -0.3313000     -0.6447000      -2.240800    
 H    1.189700       1.370300      0.5022000    
 H    2.261600       1.410800     -0.9048000    
 H    2.424200     -0.6287000      -2.362400    
 H    1.466400      -2.056500      -1.937600    
 H   -1.153200      -1.341400      0.3781000    
 H   -2.224400      -1.276300      -1.028400    
 H   -2.439800      0.8852000      -2.289900    
 H   -1.515700       2.290000      -1.734200    
 H    2.606600     -0.2862000       1.627500    
 H    3.568200       1.111100       1.142300    
 H    2.778700      -2.431700      0.1001000    
 H    3.856200      -2.315400      -1.295100    
 H   -3.534400      -1.200200       1.037200    
 H   -2.606100      0.1689000       1.650800    
 H   -2.833100       2.442300      0.3294000    
 H   -3.910100       2.430100      -1.070900    
 H    7.565500     -0.3514000       1.356400    
 H    7.594700      0.6063000     -0.1544000    
 H   -7.565500      0.1381000       1.385100    
 H   -7.574300     -0.6754000     -0.2083000    
 H    8.609200       1.885100       1.735000    
 H    7.089400       1.730100       2.648800    
 H    7.118000       2.671700       1.163500    
 H   -8.553800      -2.148600       1.553800    
 H   -7.036500      -2.042300       2.478500    
 H   -7.045200      -2.842100      0.9120000    


%chk=000116097-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116097

0 1
O 5.472695 0.405082 0.995971
O -5.484485 -0.458935 0.978453
O 5.993133 -1.287327 -0.553069
O -5.917338 1.482091 -0.278593
N 1.139956 -0.424726 -1.111708
N -1.125822 0.429566 -1.065018
N 3.765216 -0.749423 -0.037791
N -3.722493 0.722817 0.075474
C 0.005286 0.048979 -1.926908
C 1.739599 0.645065 -0.276701
C 2.174396 -1.145458 -1.891148
C -1.772532 -0.723442 -0.394700
C -2.121714 1.311101 -1.716081
C 2.763955 0.044816 0.703485
C 3.207723 -1.777632 -0.937661
C -2.765793 -0.230647 0.674605
C -3.113501 1.845023 -0.664528
C 5.132285 -0.609662 0.075731
C -5.093453 0.659911 0.212068
C 6.936243 0.615941 1.172491
C -6.954570 -0.592477 1.175794
C 7.094217 1.729776 2.203538
C -7.171699 -1.869628 1.982266
H 0.264804 0.948322 -2.541096
H -0.250730 -0.776465 -2.637781
H 0.922368 1.138350 0.277071
H 2.247966 1.414552 -0.912398
H 2.708589 -0.466003 -2.602299
H 1.688838 -1.944878 -2.481824
H -0.978824 -1.331110 0.073517
H -2.317504 -1.365644 -1.132882
H -2.696099 0.777368 -2.514560
H -1.596401 2.164059 -2.184745
H 2.232881 -0.616327 1.418382
H 3.279550 0.835952 1.266103
H 2.709147 -2.561842 -0.332905
H 4.040279 -2.232137 -1.498125
H -3.323888 -1.072479 1.108271
H -2.201008 0.279634 1.481630
H -2.568216 2.499567 0.045580
H -3.923250 2.424252 -1.136398
H 7.392960 -0.333903 1.504701
H 7.376118 0.881952 0.194146
H -7.322627 0.306085 1.703657
H -7.443447 -0.630407 0.185551
H 8.167664 1.930351 2.375038
H 6.636123 1.444004 3.166106
H 6.618511 2.662158 1.853499
H -8.251770 -2.015382 2.167056
H -6.657277 -1.813229 2.957116
H -6.791062 -2.750513 1.437015


