%chk=000158351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158351

0 1
 O   -6.621200       1.681200     -0.2081000    
 O    7.618900       1.241400      -1.417000    
 O    3.855300       1.759100       1.895900    
 O    5.620800       1.189800      -2.491700    
 O    6.091500      -4.156600     -0.3678000    
 O    6.950600      -3.124600       1.461100    
 N    4.255800      0.8545000     -0.2018000    
 N   -2.149700       1.230600     -0.1819000    
 N   -7.602000     -0.4594000     -0.6048000    
 N   -6.085900      -2.323800     -0.2090000    
 N   -3.832600      -2.023100      0.5099000    
 N   -8.290600      -2.672800     -0.9128000    
 C    5.691200      0.7945000     -8.9599997E-02
 C    6.182400     -0.5199000      0.5291000    
 C   -4.549800       1.055100      0.4134000    
 C   -3.123600       1.143200      0.8618000    
 C    5.859200      -1.793200     -0.2630000    
 C   -5.297900     -0.1130000      0.1303000    
 C  -0.7615000       1.256500      6.5800004E-02
 C    1.984200       1.310300      0.5556000    
 C    3.446500       1.339400      0.8163000    
 C   -6.565200      0.3189000     -0.2479000    
 C    6.270500       1.079100      -1.460000    
 C   -5.397900       2.115800      0.1928000    
 C  -0.2855000       1.195800       1.375600    
 C   0.1352000       1.344100     -0.9990000    
 C    1.087400       1.222700       1.620400    
 C    1.508100       1.371100     -0.7541000    
 C   -5.080400      -1.488700      0.1405000    
 C    6.354000      -3.063100      0.3951000    
 C   -7.267700      -1.764900     -0.5552000    
 H    6.002500       1.623500      0.5589000    
 H    5.756500     -0.6189000       1.536400    
 H    7.270200     -0.4652000      0.6669000    
 H   -2.915800      0.3107000       1.541400    
 H   -3.045200       2.045800       1.485000    
 H    4.774400      -1.886900     -0.3840000    
 H    6.320200      -1.733800      -1.255100    
 H    3.842200      0.4479000      -1.034400    
 H   -2.453200       1.281200      -1.148200    
 H   -5.289300       3.188000      0.2710000    
 H  -0.9454000       1.131300       2.235100    
 H  -0.2239000       1.399100      -2.023500    
 H    1.439400       1.171100       2.647400    
 H    2.169900       1.471700      -1.609100    
 H   -3.720800      -3.028400      0.4946000    
 H   -3.025000      -1.441600      0.6654000    
 H    7.991200       1.441700      -2.302200    
 H    6.426500      -4.980200      4.6700001E-02
 H   -9.198100      -2.317900      -1.181000    
 H   -8.101900      -3.665500     -0.8949000    


%chk=000158351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158351

0 1
O -6.934154 1.721450 0.130093
O 7.708310 1.302978 -1.352846
O 3.869349 1.146294 1.972707
O 5.721283 1.147248 -2.543484
O 6.224703 -4.125856 -0.392901
O 7.089270 -3.084242 1.493891
N 4.254165 0.784518 -0.279781
N -2.309071 1.000493 -0.030770
N -7.671539 -0.497489 -0.460365
N -5.907470 -2.223228 -0.439552
N -3.659380 -1.746077 0.039264
N -8.132006 -2.743364 -0.942831
C 5.708046 0.823991 -0.091466
C 6.286760 -0.473801 0.552526
C -4.686873 1.308884 0.533683
C -3.262609 1.515649 0.980178
C 6.000126 -1.734337 -0.280367
C -5.325056 0.062738 0.128972
C -0.915359 1.026005 0.169001
C 1.927223 0.979280 0.519184
C 3.399927 0.977907 0.797673
C -6.696186 0.351787 -0.098678
C 6.335889 1.106577 -1.451106
C -5.680199 2.268601 0.513991
C -0.335408 1.298139 1.442239
C -0.048002 0.734318 -0.925925
C 1.059896 1.267750 1.603370
C 1.344664 0.712881 -0.751235
C -4.954828 -1.307627 -0.088535
C 6.502052 -2.995225 0.394618
C -7.204044 -1.787524 -0.599887
H 5.960665 1.654540 0.597312
H 5.833759 -0.565441 1.553845
H 7.373337 -0.341427 0.693660
H -3.089443 0.966473 1.927086
H -3.083181 2.591001 1.194629
H 4.913459 -1.850741 -0.456029
H 6.465825 -1.687613 -1.284740
H 3.921523 0.779923 -1.247433
H -2.625543 1.098982 -1.000078
H -5.693051 3.330599 0.742331
H -0.967623 1.539861 2.301422
H -0.476555 0.520060 -1.912846
H 1.517253 1.472364 2.577118
H 1.963261 0.472335 -1.624107
H -3.466892 -2.731656 -0.129732
H -2.901438 -1.064733 0.150883
H 8.090198 1.480873 -2.254861
H 6.562573 -4.938132 0.073838
H -9.101061 -2.465506 -1.069775
H -7.832044 -3.706882 -1.057884


