%chk=000169946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169946

0 1
 O    7.498800      0.6158000     -0.3248000    
 O   -7.498300      0.6156000      0.3277000    
 N    3.347400      0.2651000      7.1999999E-03
 N   -3.347400      0.2649000     -9.2000002E-03
 C    4.066900      -1.009000     -0.1774000    
 C   -4.066700      -1.009300      0.1759000    
 C    5.515700     -0.7092000     -0.6247000    
 C   -5.514900     -0.7094000      0.6249000    
 C    5.390700       1.624300      0.2912000    
 C   -5.390900       1.624300     -0.2905000    
 C    6.221200      0.3350000      0.2421000    
 C   -6.221400      0.3349000     -0.2408000    
 C    3.971700       1.331000      0.7875000    
 C   -3.972500       1.331000     -0.7885000    
 C    4.052900      -1.817600       1.131900    
 C    3.407800      -1.853800      -1.287500    
 C   -4.054200      -1.817400      -1.133600    
 C   -3.406300      -1.854300       1.285000    
 C    6.054200       2.685900       1.171900    
 C   -6.055500       2.686100      -1.170200    
 C    1.886300      0.2651000      2.9000000E-03
 C   -1.886200      0.2649000     -6.5000001E-03
 C   0.6861000      0.2648000     -5.0000002E-04
 C  -0.6862000      0.2648000     -4.0000002E-03
 C    8.225700     -0.4964000     -0.3781000    
 C   -8.225200     -0.4966000      0.3815000    
 C    8.881600      -1.500300     -0.4248000    
 C   -8.881200      -1.500300      0.4314000    
 H    5.512000     -0.3462000      -1.663500    
 H    6.065900      -1.657400     -0.6528000    
 H   -5.510000     -0.3467000       1.663800    
 H   -6.065100      -1.657500      0.6535000    
 H    5.332500       2.038900     -0.7252000    
 H   -5.331500       2.038500      0.7258000    
 H    6.362300     -4.3000001E-02   1.264500    
 H   -6.363700     -4.2800002E-02  -1.263100    
 H    3.982700       1.051800       1.848500    
 H    3.375400       2.249500      0.7084000    
 H   -3.984700       1.052200      -1.849500    
 H   -3.376200       2.249400     -0.7099000    
 H    3.028700      -2.062700       1.435600    
 H    4.598800      -2.760800       1.017600    
 H    4.509200      -1.269900       1.962500    
 H    2.405500      -2.194400      -1.004200    
 H    3.311800      -1.282200      -2.218000    
 H    4.001100      -2.749800      -1.504300    
 H   -3.030300      -2.062600      -1.438600    
 H   -4.600000      -2.760700      -1.019000    
 H   -4.511400      -1.269600      -1.963500    
 H   -2.404400      -2.194900       1.000500    
 H   -3.309300      -1.282900       2.215600    
 H   -3.999400      -2.750300       1.502400    
 H    6.175100       2.328900       2.200300    
 H    7.043500       2.956100      0.7886000    
 H    5.449800       3.598800       1.199700    
 H   -6.177600       2.329500      -2.198600    
 H   -7.044300       2.956300     -0.7855000    
 H   -5.451100       3.599000      -1.198300    
 H    9.462600      -2.391700     -0.4663000    
 H   -9.462200      -2.391600      0.4757000    


%chk=000169946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169946

0 1
O 7.406526 1.067193 -0.137407
O -7.406857 1.066732 0.137995
N 3.268430 0.065735 0.212308
N -3.268608 0.066036 -0.212306
C 4.102624 -0.981008 -0.502357
C -4.102596 -0.981046 0.502112
C 5.469389 -0.326871 -0.865018
C -5.469451 -0.327254 0.865043
C 5.259945 1.433964 0.959294
C -5.260376 1.434242 -0.958656
C 6.145591 0.351415 0.331992
C -6.145820 0.351337 -0.331703
C 3.910230 0.781463 1.349186
C -3.910612 0.782057 -1.348887
C 4.283312 -2.227994 0.409493
C 3.390125 -1.394672 -1.807056
C -4.283120 -2.227810 -0.410075
C -3.389939 -1.394943 1.806652
C 5.916863 2.104518 2.182246
C -5.917458 2.105166 -2.181318
C 1.927038 0.046570 0.133768
C -1.927192 0.046841 -0.134095
C 0.677271 0.054347 0.048365
C -0.677398 0.054617 -0.049103
C 8.407342 0.298346 -0.559292
C -8.407521 0.297570 0.559666
C 9.369054 -0.361492 -0.956216
C -9.369087 -0.362561 0.956455
H 5.299037 0.439925 -1.643848
H 6.136962 -1.101179 -1.286700
H -5.299205 0.439303 1.644132
H -6.136880 -1.101816 1.286491
H 5.065151 2.195324 0.178494
H -5.065622 2.195340 -0.177591
H 6.471144 -0.385908 1.093433
H -6.471269 -0.385768 -1.093400
H 4.070061 0.090188 2.207356
H 3.207319 1.560732 1.686989
H -4.070422 0.091044 -2.207275
H -3.207836 1.561534 -1.686492
H 3.296291 -2.665982 0.641926
H 4.891326 -2.995345 -0.103325
H 4.782586 -1.986607 1.364721
H 2.427885 -1.890145 -1.594079
H 3.188598 -0.513443 -2.440886
H 4.029257 -2.096937 -2.371494
H -3.296031 -2.665549 -0.642690
H -4.890960 -2.995417 0.102564
H -4.782500 -1.986251 -1.365206
H -2.427611 -1.890158 1.593467
H -3.188553 -0.513850 2.440716
H -4.028890 -2.097500 2.370933
H 6.101327 1.369477 2.989340
H 6.883564 2.554949 1.903057
H 5.268109 2.900894 2.590206
H -6.101878 1.370403 -2.988675
H -6.884201 2.555367 -1.901901
H -5.268834 2.901779 -2.589023
H 10.215316 -0.922257 -1.300591
H -10.215148 -0.923545 1.300968


