%chk=000039276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039276

0 1
 O   -2.470600     -0.9857000      -1.379200    
 O  -0.2538000      0.7551000      -2.223600    
 N   0.7157000     -0.5315000     -0.4989000    
 N    4.222900      0.7131000     -0.3894000    
 C   -1.643100     -0.2803000     -0.4753000    
 C   -1.155300      -1.143300      0.6581000    
 C   0.2352000      -1.254100      0.6016000    
 C  -0.3310000      7.6899998E-02  -1.208700    
 C    2.110400     -0.4265000     -0.8570000    
 C   -2.348600      0.9528000     -2.6699999E-02
 C    2.811700      0.6433000     -3.2800000E-02
 C   -1.876600      -1.785300       1.651200    
 C   0.9465000      -1.993200       1.531000    
 C   -3.676800       1.171700     -0.3956000    
 C   -1.682900       1.891100      0.7635000    
 C   -1.174500      -2.535500       2.597800    
 C   0.2255000      -2.637500       2.538600    
 C   -1.848700      -2.178700      -1.845200    
 C    4.892000       1.780500      0.3570000    
 C    4.882600     -0.5701000     -0.1399000    
 C   -4.337500       2.326000      2.4700001E-02
 C   -2.343600       3.045400       1.183900    
 C   -2.791700      -2.888600      -2.793100    
 C    4.223700       3.123000      0.1133000    
 C    6.339200     -0.5314000     -0.5702000    
 C   -3.670900       3.262800      0.8145000    
 H    2.174000     -0.1697000      -1.921900    
 H    2.519200      -1.432400     -0.7446000    
 H    2.292300       1.582600     -0.2521000    
 H    2.684000      0.4531000       1.040700    
 H   -2.957500      -1.710700       1.699400    
 H    2.026200      -2.082600       1.495200    
 H   -4.237800      0.4678000      -1.003300    
 H  -0.6492000       1.746600       1.065900    
 H   -1.716100      -3.047300       3.388900    
 H   0.7515000      -3.226600       3.285100    
 H  -0.9269000      -1.967800      -2.396600    
 H   -1.634000      -2.876600      -1.030400    
 H    5.925800       1.899000      1.6600000E-02
 H    4.918500       1.572900       1.434300    
 H    4.449900      -1.369900     -0.7448000    
 H    4.811200     -0.8724000      0.9124000    
 H   -5.371500       2.495200     -0.2612000    
 H   -1.824700       3.774800       1.799000    
 H   -3.042500      -2.243700      -3.641800    
 H   -3.733200      -3.132000      -2.289700    
 H   -2.345700      -3.812400      -3.172400    
 H    4.876100       3.926400      0.4743000    
 H    3.279000       3.226000      0.6562000    
 H    4.046900       3.303500     -0.9526000    
 H    6.455200     -0.1138000      -1.576300    
 H    6.966300      3.5200000E-02  0.1251000    
 H    6.743200      -1.550100     -0.5920000    
 H   -4.185500       4.161300       1.142100    


%chk=000039276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039276

0 1
O -2.600049 -0.958604 -1.284356
O -0.174338 0.823176 -1.996619
N 0.747018 -0.610006 -0.357494
N 4.274130 0.795976 -0.171277
C -1.656003 -0.384157 -0.309854
C -1.159362 -1.384045 0.727340
C 0.256674 -1.465395 0.668254
C -0.304165 0.047873 -1.017314
C 2.159849 -0.411640 -0.709616
C -2.342183 0.860623 0.262524
C 2.832497 0.692113 0.148098
C -1.874959 -2.169998 1.639937
C 0.985036 -2.314128 1.522570
C -3.116126 1.673851 -0.603015
C -2.170279 1.250701 1.613272
C -1.160702 -3.041035 2.505093
C 0.251644 -3.104248 2.444457
C -2.060918 -2.071553 -2.098037
C 4.771425 2.195706 -0.247992
C 5.117356 -0.098174 0.665606
C -3.724210 2.850474 -0.115920
C -2.775051 2.433042 2.096853
C -3.198902 -2.537512 -3.004709
C 4.305290 2.920930 -1.524757
C 6.439929 -0.498644 -0.016142
C -3.555857 3.235894 1.234994
H 2.206985 -0.111554 -1.769759
H 2.699609 -1.370128 -0.600795
H 2.331601 1.649777 -0.077844
H 2.656944 0.485541 1.231000
H -2.967743 -2.108249 1.678543
H 2.077462 -2.372514 1.485094
H -3.239532 1.368602 -1.645024
H -1.572746 0.631210 2.290856
H -1.703061 -3.663771 3.224052
H 0.792461 -3.775379 3.121291
H -1.200031 -1.708610 -2.696771
H -1.716112 -2.890674 -1.433481
H 5.875956 2.160935 -0.245456
H 4.471560 2.785599 0.654688
H 4.534851 -1.018917 0.864088
H 5.329893 0.358233 1.666118
H -4.326271 3.469038 -0.791078
H -2.638977 2.723365 3.144848
H -3.540838 -1.711342 -3.651436
H -4.056817 -2.887077 -2.404681
H -2.858243 -3.368829 -3.648871
H 4.699739 3.954010 -1.548969
H 3.203643 2.981684 -1.586259
H 4.663786 2.382563 -2.419218
H 6.234386 -0.989863 -0.983106
H 7.085362 0.376659 -0.210665
H 7.009853 -1.196578 0.625421
H -4.026965 4.151449 1.610617


