%chk=000121906.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121906

0 1
 O   0.6279000      0.7483000     -0.7333000    
 O    3.465600      -1.234100      0.2031000    
 O   -2.577400      0.9734000       1.355300    
 O   -3.978600       4.845200       1.059700    
 O    4.036400       1.566800      -1.994500    
 O    6.181500       1.100200      -2.567600    
 N    1.092500     -0.4774000       1.174200    
 N   -1.863700      3.0099999E-02 -0.6515000    
 N   -4.170000       2.662400      0.2347000    
 N    4.311500      0.9114000      0.5194000    
 N   -1.480000      -4.462400     -0.5211000    
 N   -3.683000      -4.373500     -0.7877000    
 C    2.259000      0.2920000       1.586500    
 C    2.505800     -0.1234000       3.032200    
 C    1.972000      -1.552800       3.086800    
 C   0.7720000      -1.513700       2.152600    
 C  -0.9437000     -0.9278000     -0.1091000    
 C   0.3249000     -0.1334000      7.2400004E-02
 C    3.392200     -0.1094000      0.6909000    
 C   -3.469500       1.815100     -0.6885000    
 C  -0.6952000      -2.115900      -1.029900    
 C   -2.664600       2.786300      -1.531100    
 C   -2.608700      0.9065000      0.1293000    
 C   -2.439400       3.986700     -0.6121000    
 C   -1.762000      -3.174300     -0.8794000    
 C   -3.617600       3.935200      0.3295000    
 C    5.507200      0.7723000     -0.2802000    
 C   -3.127500      -3.144100      -1.038800    
 C   -2.664000      -5.144800     -0.4792000    
 C    5.296500       1.155100      -1.722500    
 H    2.049000       1.362700       1.489300    
 H    3.555000     -6.2100001E-02   3.336800    
 H    1.914600      0.5088000       3.705900    
 H   0.5867000      -2.473900       1.664200    
 H  -0.1270000      -1.202700       2.696000    
 H    1.705600      -1.868900       4.099200    
 H    2.726800      -2.249100       2.702800    
 H   -1.346800      -1.249900      0.8550000    
 H   -4.185800       1.231000      -1.273600    
 H   0.2808000      -2.568800     -0.8121000    
 H  -0.6594000      -1.800700      -2.080700    
 H   -1.946200      8.9599997E-02  -1.662600    
 H   -1.721800       2.392700      -1.921600    
 H   -3.268000       3.108400      -2.389600    
 H   -2.422900       4.926800      -1.168400    
 H   -1.518900       3.877000     -3.0400001E-02
 H   -4.961400       2.357200      0.7927000    
 H    4.148900       1.808900      0.9664000    
 H    6.264300       1.433200      0.1504000    
 H    5.845400     -0.2675000     -0.2419000    
 H  -0.5649000      -4.844100     -0.3219000    
 H   -3.742000      -2.301900      -1.322700    
 H   -2.714200      -6.192300     -0.2183000    
 H    3.925000       1.810200      -2.938200    


%chk=000121906-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121906

0 1
O 1.327852 1.174008 -0.477496
O 4.990443 -1.254827 0.770312
O -3.426587 0.134246 0.002024
O -6.696790 2.059251 -1.996162
O 5.729884 1.911659 -1.613426
O 6.285331 0.737205 -3.540653
N 1.688329 -0.298034 1.285813
N -1.270048 0.835418 -0.520294
N -4.344658 1.932611 -2.099404
N 3.897670 0.065173 -0.814360
N -2.744277 -2.478550 0.631391
N -2.204677 -4.585979 1.263035
C 3.097732 0.170651 1.513994
C 3.410113 -0.329279 2.938696
C 2.570969 -1.625559 3.061880
C 1.254771 -1.284819 2.328510
C -0.562092 -0.221463 0.216963
C 0.896266 0.268002 0.335031
C 4.086671 -0.420154 0.461317
C -3.160161 2.216420 -1.290949
C -0.625064 -1.634745 -0.509084
C -3.707130 3.269359 -0.256170
C -2.631540 0.959800 -0.560112
C -5.225785 2.983224 -0.179442
C -1.417511 -2.678847 0.225809
C -5.560776 2.286452 -1.509470
C 4.777904 -0.315399 -1.909169
C -1.106401 -3.986705 0.626201
C -3.173528 -3.642819 1.248377
C 5.665565 0.800978 -2.458076
H 3.114810 1.272050 1.416458
H 4.486845 -0.523443 3.056301
H 3.088926 0.422214 3.682390
H 0.770579 -2.164313 1.874012
H 0.528384 -0.803396 3.013177
H 2.386937 -1.922575 4.106843
H 3.094730 -2.451481 2.551075
H -1.016413 -0.325479 1.220024
H -2.348472 2.652117 -1.904568
H 0.398059 -2.023211 -0.659283
H -1.038846 -1.450499 -1.519116
H -0.640128 1.504078 -0.989529
H -3.197193 3.187312 0.717409
H -3.523546 4.281625 -0.655723
H -5.842159 3.888002 -0.059405
H -5.476342 2.285415 0.638841
H -4.322263 1.353463 -2.939843
H 3.122719 0.733449 -0.960844
H 5.443763 -1.118020 -1.536206
H 4.215658 -0.727394 -2.766913
H -3.243322 -1.580051 0.484523
H -0.176115 -4.534157 0.480739
H -4.171095 -3.764743 1.663095
H 6.344907 2.586358 -2.011741


