%chk=000081275.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081275

0 1
 O   -3.008800       1.755500       1.416300    
 O   0.7017000      -1.108200      -1.219500    
 N   -1.922300       1.905900     -0.6602000    
 N    2.039700      -1.767100      0.5964000    
 C   -4.460700      -1.564000     -0.7340000    
 C   -4.021000      -2.997200     -0.4168000    
 C   -4.810200     -0.7475000      0.5125000    
 C   -2.738700      -3.063000      0.4181000    
 C   -5.298100      0.6728000      0.1997000    
 C   -1.583200      -2.336900     -0.2766000    
 C   -4.305800       1.535700     -0.5813000    
 C  -0.2816000      -2.415000      0.5204000    
 C   -3.010700       1.747200      0.1884000    
 C   0.8696000      -1.681300     -0.1466000    
 C  -0.5714000       2.120900     -0.2992000    
 C    3.300800      -1.207500      0.2830000    
 C   0.4009000       2.263200      -1.289300    
 C    4.383300      -1.403200       1.140900    
 C  -0.2116000       2.191300       1.046800    
 C    3.462100     -0.4607000     -0.8841000    
 C    1.732800       2.475600     -0.9335000    
 C    5.626700     -0.8519000      0.8319000    
 C    1.120400       2.403900       1.402400    
 C    4.705700      9.0499997E-02  -1.193100    
 C    2.092500       2.546000      0.4121000    
 C    5.788000     -0.1052000     -0.3350000    
 H   -3.705000      -1.062400      -1.343900    
 H   -5.355800      -1.623200      -1.366800    
 H   -3.867900      -3.536400      -1.359600    
 H   -4.823400      -3.519300      0.1179000    
 H   -5.598200      -1.267100       1.071600    
 H   -3.946300     -0.6881000       1.181400    
 H   -2.903900      -2.645900       1.417300    
 H   -2.470600      -4.116800      0.5628000    
 H   -5.553800       1.168100       1.144800    
 H   -6.229700      0.6089000     -0.3760000    
 H   -1.429300      -2.759100      -1.277400    
 H   -1.821900      -1.276800     -0.4101000    
 H   -4.743900       2.526700     -0.7506000    
 H   -4.109000       1.103000      -1.567000    
 H  -0.4300000      -1.980200       1.516400    
 H   1.1100000E-02  -3.463600      0.6514000    
 H   -2.097500       1.872800      -1.662100    
 H    2.003400      -2.292200       1.467400    
 H   0.1344000       2.210200      -2.341700    
 H    4.271300      -1.983000       2.053500    
 H  -0.9054000       2.089500       1.869200    
 H    2.677200     -0.2798000      -1.604100    
 H    2.488600       2.590600      -1.704900    
 H    6.469500      -1.004100       1.499800    
 H    1.402400       2.457700       2.449900    
 H    4.833100      0.6698000      -2.103000    
 H    3.129500       2.711900      0.6893000    
 H    6.756300      0.3235000     -0.5759000    


%chk=000081275-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081275

0 1
O -3.508712 2.697596 0.032427
O 0.539804 -0.437718 -0.754245
N -1.359098 1.746886 -0.038839
N 2.090717 -2.019077 0.007488
C -4.339852 -2.076731 -0.730954
C -3.948088 -3.033091 0.427138
C -4.727189 -0.641919 -0.283455
C -2.662386 -2.622927 1.194545
C -4.563971 0.417211 -1.404582
C -1.423119 -2.505327 0.281100
C -3.101747 0.900025 -1.580732
C -0.163982 -1.971197 1.015641
C -2.685599 1.856791 -0.448531
C 0.847628 -1.408273 0.017605
C -0.674716 2.557783 0.915465
C 3.238396 -1.731760 -0.794752
C 0.726262 2.350341 1.065825
C 4.407002 -2.501373 -0.547778
C -1.322192 3.544532 1.710476
C 3.250100 -0.732631 -1.803728
C 1.462996 3.107371 1.998742
C 5.577522 -2.275370 -1.298847
C -0.567087 4.294722 2.638519
C 4.431654 -0.518510 -2.546521
C 0.822071 4.085354 2.795311
C 5.597287 -1.280211 -2.304075
H -3.508274 -2.025532 -1.461407
H -5.191201 -2.518569 -1.286587
H -3.812934 -4.056024 0.018643
H -4.788000 -3.092648 1.148907
H -5.775728 -0.646725 0.073785
H -4.116744 -0.326264 0.585258
H -2.824439 -1.649565 1.699472
H -2.470106 -3.360698 2.000018
H -5.174496 1.308702 -1.171457
H -4.934157 0.004059 -2.363930
H -1.201279 -3.485192 -0.187560
H -1.641342 -1.802559 -0.541868
H -3.018981 1.470409 -2.528186
H -2.397336 0.049982 -1.663960
H -0.467107 -1.133263 1.673623
H 0.279508 -2.752488 1.662639
H -0.789767 0.993137 -0.461878
H 2.211010 -2.783512 0.676573
H 1.230384 1.607092 0.438250
H 4.400552 -3.274303 0.232166
H -2.392784 3.711375 1.583018
H 2.348914 -0.147230 -1.990451
H 2.541423 2.937244 2.096991
H 6.472139 -2.874752 -1.098518
H -1.076263 5.053088 3.244697
H 4.436285 0.254064 -3.323306
H 1.395634 4.675136 3.518691
H 6.506690 -1.102964 -2.887566


