%chk=000123503.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123503

0 1
 O    2.516200      -1.504300     -8.8500001E-02
 N   -2.740200      0.2072000      0.4950000    
 N   -10.29440       1.149600      4.5200001E-02
 C    7.269100     -0.2473000      5.3300001E-02
 C    8.364100      0.7367000     -0.3692000    
 C    5.883000      0.1184000     -0.4821000    
 C    9.736100      0.4130000      0.2262000    
 C    4.827100     -0.8813000     -1.2300000E-02
 C    10.77280       1.465800     -0.1690000    
 C    3.451200     -0.5504000     -0.5730000    
 C    12.12980       1.171200      0.4505000    
 C    1.219900      -1.082100      5.5199999E-02
 C   0.7127000     -8.8900000E-02 -0.7827000    
 C   0.4082000      -1.646000       1.039400    
 C  -0.6064000      0.3402000     -0.6363000    
 C  -0.9109000      -1.216800       1.185700    
 C   -1.418200     -0.2237000      0.3478000    
 C   -5.064000     -9.0400003E-02 -0.1484000    
 C   -3.632200     -0.4306000     -0.1999000    
 C   -5.979900     -0.8080000     -0.9179000    
 C   -5.504500      0.9488000      0.6713000    
 C   -7.336100     -0.4864000     -0.8676000    
 C   -6.860800       1.270400      0.7215000    
 C   -7.776700      0.5527000     -4.7800001E-02
 C   -9.165800      0.8821000      3.5000001E-03
 H    7.230400     -0.2884000       1.149000    
 H    7.539700      -1.253000     -0.2915000    
 H    8.068800       1.747700     -6.1400000E-02
 H    8.435500      0.7476000      -1.463800    
 H    5.910600      0.1406000      -1.578200    
 H    5.613000       1.126100     -0.1443000    
 H    10.06100     -0.5767000     -0.1165000    
 H    9.658100      0.3675000       1.319200    
 H    5.105400      -1.898700     -0.3145000    
 H    4.780500     -0.8962000       1.084000    
 H    10.43940       2.458200      0.1560000    
 H    10.87300       1.497900      -1.260100    
 H    3.194600      0.4675000     -0.2514000    
 H    3.471500     -0.5917000      -1.668100    
 H    12.50730      0.1975000      0.1224000    
 H    12.85570       1.934700      0.1538000    
 H    12.06940       1.166200       1.543500    
 H    1.302100      0.3563000      -1.578700    
 H   0.7982000      -2.419700       1.695100    
 H  -0.9946000       1.111000      -1.297200    
 H   -1.535200      -1.661700       1.956200    
 H   -3.347700      -1.266000     -0.8675000    
 H   -5.651000      -1.620300      -1.560900    
 H   -4.813200       1.524100       1.281200    
 H   -8.038000      -1.054900      -1.473100    
 H   -7.189100       2.083100       1.365200    


%chk=000123503-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123503

0 1
O 2.545090 -0.687395 1.233399
N -3.066579 -0.381261 0.614178
N -10.658970 0.276775 -0.682827
C 7.418239 -0.009795 0.361940
C 8.502259 0.615304 -0.544651
C 5.979839 0.295176 -0.113519
C 9.942821 0.317472 -0.071399
C 4.901298 -0.343386 0.791860
C 11.025879 0.936736 -0.984247
C 3.486624 -0.022728 0.307445
C 12.462467 0.636044 -0.504995
C 1.175470 -0.552559 0.989317
C 0.617260 0.204621 -0.075674
C 0.320891 -1.218747 1.906912
C -0.781010 0.268128 -0.229289
C -1.069923 -1.132337 1.756301
C -1.650900 -0.408586 0.673871
C -5.191605 -0.049267 -0.516770
C -3.722904 -0.132530 -0.494866
C -5.864403 0.209631 -1.743762
C -5.962499 -0.222662 0.669397
C -7.266960 0.294630 -1.793706
C -7.362155 -0.141393 0.629042
C -8.029498 0.119424 -0.605109
C -9.464813 0.205395 -0.647932
H 7.547968 0.362024 1.399553
H 7.564870 -1.109030 0.404817
H 8.352615 1.714497 -0.591215
H 8.373348 0.240245 -1.581771
H 5.856108 -0.070138 -1.154664
H 5.834346 1.395277 -0.148702
H 10.093819 -0.781233 -0.019979
H 10.076650 0.697540 0.963144
H 5.030828 -1.442221 0.818083
H 5.015559 0.019265 1.831305
H 10.874195 2.034380 -1.036219
H 10.892006 0.555698 -2.017434
H 3.301466 1.071793 0.316061
H 3.320575 -0.404674 -0.721559
H 12.649564 -0.454006 -0.472622
H 13.216810 1.088396 -1.174777
H 12.632302 1.034673 0.513131
H 1.258444 0.752212 -0.772476
H 0.772388 -1.783510 2.727797
H -1.196160 0.880770 -1.038220
H -1.743784 -1.628341 2.461598
H -3.220424 0.005717 -1.475771
H -5.279925 0.344086 -2.662022
H -5.430055 -0.419761 1.604655
H -7.780208 0.494093 -2.739454
H -7.953721 -0.275842 1.540128


