%chk=000120967.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120967

0 1
 O    4.977800       1.567200      -1.627100    
 O   -5.518400       1.846700      0.9373000    
 O   -7.061900      3.4400001E-02 -0.4979000    
 N   0.6913000     -0.7700000     -0.4109000    
 N    3.455500     -0.1734000     -7.6000001E-03
 C    1.142100     -0.1446000      0.8382000    
 C    1.521400     -0.3062000      -1.529600    
 C    2.600300     -0.5013000       1.137200    
 C    2.991700     -0.6694000      -1.309500    
 C  -0.7178000     -0.4661000     -0.6576000    
 C   -1.602300      -1.027300      0.4564000    
 C    4.832100     -5.7999999E-03  0.1799000    
 C   -3.060800     -0.7401000      0.2027000    
 C    5.588600      0.8649000     -0.6314000    
 C    5.505800     -0.7115000       1.197500    
 C   -3.619400      0.4308000      0.6920000    
 C   -3.819400      -1.652400     -0.5150000    
 C    6.960200       1.022900     -0.4330000    
 C    6.877500     -0.5536000       1.395800    
 C   -4.968700      0.6960000      0.4581000    
 C    7.604800      0.3136000      0.5806000    
 C   -5.168600      -1.387400     -0.7490000    
 C   -5.743300     -0.2132000     -0.2624000    
 C   -5.474400       2.989700      8.5500002E-02
 C   -7.994100     -0.4438000      0.4698000    
 H   0.5802000     -0.4970000       1.706700    
 H    1.031200      0.9471000      0.7904000    
 H    1.427600      0.7805000      -1.659600    
 H    1.189600     -0.7771000      -2.462800    
 H    2.912700      6.0400002E-02   2.026600    
 H    2.678600      -1.571900       1.366600    
 H    3.111300      -1.760900      -1.334100    
 H    3.571100     -0.2759000      -2.149900    
 H  -0.8760000      0.6164000     -0.7586000    
 H   -1.025000     -0.9190000      -1.609500    
 H   -1.370300     -0.6026000       1.438100    
 H   -1.452600      -2.110900      0.5539000    
 H    4.977300      -1.406900       1.844900    
 H   -3.018100       1.142300       1.252100    
 H   -3.380400      -2.568500     -0.8996000    
 H    7.539500       1.694900      -1.060600    
 H    7.380200      -1.108000       2.182800    
 H    8.672900      0.4358000      0.7346000    
 H   -5.765800      -2.099400      -1.312100    
 H    5.640800       2.112100      -2.084700    
 H   -6.016400       2.797500     -0.8459000    
 H   -4.437700       3.265500     -0.1327000    
 H   -5.956100       3.822600      0.6047000    
 H   -8.999600     -0.1628000      0.1450000    
 H   -7.802300      1.0200000E-02   1.447100    
 H   -7.942600      -1.534600      0.5453000    


%chk=000120967-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120967

0 1
O 5.227441 1.068752 -1.998268
O -5.727756 1.611926 1.236166
O -7.165010 0.025489 -0.766089
N 0.757274 -0.619272 -0.298354
N 3.602031 -0.121643 -0.005526
C 1.310520 0.008099 0.925652
C 1.595990 -0.246273 -1.467265
C 2.765065 -0.434162 1.169512
C 3.047918 -0.700118 -1.257774
C -0.675998 -0.307252 -0.511879
C -1.611883 -1.080404 0.456725
C 5.005691 -0.039537 0.165381
C -3.077741 -0.797420 0.164405
C 5.846648 0.564690 -0.828062
C 5.651097 -0.486721 1.355620
C -3.759571 0.256532 0.821573
C -3.780619 -1.543479 -0.817296
C 7.238075 0.683611 -0.639043
C 7.042052 -0.344965 1.556096
C -5.104968 0.557682 0.523179
C 7.848565 0.235707 0.555451
C -5.133407 -1.264781 -1.107953
C -5.811242 -0.227346 -0.432905
C -6.181730 2.741264 0.391740
C -8.119804 -0.188168 0.346586
H 0.704215 -0.291885 1.799120
H 1.282695 1.126143 0.853255
H 1.587119 0.858603 -1.645172
H 1.189092 -0.744035 -2.367160
H 3.155174 0.111914 2.046849
H 2.774775 -1.525542 1.402157
H 3.071614 -1.812860 -1.200677
H 3.663364 -0.371855 -2.107398
H -0.884022 0.790303 -0.423702
H -0.935006 -0.597001 -1.548202
H -1.379091 -0.801116 1.501162
H -1.388144 -2.157731 0.348743
H 5.054689 -0.972576 2.133280
H -3.254452 0.869587 1.576834
H -3.271042 -2.359832 -1.343040
H 7.847671 1.151567 -1.424989
H 7.491519 -0.703661 2.488464
H 8.929124 0.342592 0.693543
H -5.691410 -1.849491 -1.846656
H 5.900233 1.523510 -2.563577
H -6.884665 2.396011 -0.387716
H -5.311317 3.234949 -0.081082
H -6.679969 3.440496 1.080608
H -9.106182 0.089177 -0.055817
H -7.862928 0.443906 1.215817
H -8.121594 -1.253487 0.646383


