%chk=000112785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112785

0 1
 O   -3.755800      -3.619100     -0.4618000    
 O   0.4569000       2.267900     -0.3393000    
 O    6.688300      -1.178500      0.1482000    
 N  -0.8177000      0.4511000      0.4335000    
 N    5.088200      0.2989000     -0.7545000    
 C   -3.179900     -1.8300001E-02 -1.8300001E-02
 C   -2.136700      0.8834000      0.2477000    
 C   -4.493600      0.4764000     -0.1971000    
 C   -2.947900      -1.400400     -0.1104000    
 C   -2.385100       2.253500      0.3358000    
 C   -4.725400       1.858500     -0.1049000    
 C   -5.536800     -0.4254000     -0.4630000    
 C   -3.676900       2.740100      0.1599000    
 C    1.617900      0.4027000      0.4251000    
 C   0.3609000       1.143200      0.1399000    
 C   -3.996300      -2.282100     -0.3752000    
 C   -5.288200      -1.795400     -0.5511000    
 C    2.749400      0.7066000     -0.3022000    
 C    3.928800      1.2200000E-02 -3.3000000E-02
 C    1.611100     -0.5632000       1.409200    
 C    3.949300     -0.9699000      0.9572000    
 C    2.790500      -1.257600       1.678300    
 C    6.353800     -0.2885000     -0.6271000    
 C    7.345300      0.3038000      -1.596800    
 H   -1.957400      -1.829800      6.5000001E-03
 H   -1.610600       2.973300      0.5803000    
 H   -5.727600       2.261000     -0.2368000    
 H  -0.7134000     -0.5353000      0.6390000    
 H   -6.554500     -6.7299999E-02 -0.6040000    
 H   -3.872100       3.805800      0.2378000    
 H   -6.108500      -2.477500     -0.7576000    
 H    2.735500       1.466900      -1.078700    
 H   0.7430000     -0.7913000       2.019100    
 H    4.823300      -1.547400       1.224200    
 H    2.808100      -2.016000       2.455800    
 H    4.992300       1.027400      -1.459000    
 H   -2.808600      -3.782300     -0.3133000    
 H    7.014400      0.1188000      -2.622500    
 H    8.326600     -0.1563000      -1.451100    
 H    7.430900       1.381100      -1.428700    


%chk=000112785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112785

0 1
O -4.092942 -3.661117 -0.024805
O 0.538977 2.307505 -0.266547
O 6.810606 -1.208854 0.014561
N -0.811990 0.418226 0.120234
N 5.234643 0.419988 -0.602683
C -3.234348 0.015164 -0.040768
C -2.124518 0.950298 -0.009763
C -4.578651 0.553334 -0.099578
C -3.071082 -1.411850 -0.020519
C -2.360435 2.334309 -0.087511
C -4.784123 1.968583 -0.159229
C -5.691339 -0.354066 -0.106431
C -3.691065 2.835719 -0.164313
C 1.618976 0.209460 0.304685
C 0.414733 1.079393 0.035468
C -4.185596 -2.259298 -0.034085
C -5.512825 -1.732456 -0.068845
C 2.850278 0.649574 -0.227371
C 4.039096 -0.094201 -0.026655
C 1.580218 -0.983311 1.076117
C 3.996940 -1.298917 0.728638
C 2.767045 -1.720303 1.275998
C 6.523487 -0.123076 -0.569374
C 7.578371 0.698143 -1.307092
H -2.074182 -1.873543 -0.031246
H -1.508254 3.015293 -0.091665
H -5.808535 2.354787 -0.206243
H -0.750447 -0.585952 0.287350
H -6.704096 0.063021 -0.145493
H -3.843563 3.918556 -0.220305
H -6.353964 -2.430988 -0.075667
H 2.852145 1.591096 -0.790753
H 0.657918 -1.312785 1.570058
H 4.915305 -1.867872 0.881748
H 2.742489 -2.632999 1.881264
H 5.129464 1.303422 -1.106519
H -3.149564 -3.959768 -0.013962
H 7.988963 0.093406 -2.134383
H 8.411003 0.911769 -0.615686
H 7.202362 1.651313 -1.717530


