%chk=000110864.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110864

0 1
 O    1.410600      -1.201300      -1.597700    
 O  -0.7396000      -3.871200     -0.3978000    
 O   -1.739000       3.169600     -0.3083000    
 O  -0.5669000       1.492900      0.4878000    
 N    2.298100     -0.4916000      0.4570000    
 N  -0.9514000      -1.246100     -6.0999999E-03
 N   -1.562800     -0.7325000      0.9533000    
 N   -1.647800       1.982400      8.3600000E-02
 C   0.3108000      -1.853900      0.4234000    
 C    3.429400      0.2655000      6.8400003E-02
 C    3.866300       1.319400      0.8544000    
 C    1.394600      -1.147800     -0.3706000    
 C    4.080400     -7.5000003E-02  -1.106800    
 C   -2.762700     -0.1625000      0.4962000    
 C   0.2309000      -3.344100      0.1454000    
 C   -5.167900      0.9213000     -0.4007000    
 C   -2.810500       1.162900      6.9499999E-02
 C    4.983800       2.052500      0.4552000    
 C    3.172700       1.696000       2.123300    
 C   -4.014500       1.705400     -0.3794000    
 C   -3.913300     -0.9480000      0.4759000    
 C   -5.117200     -0.4054000      2.6900001E-02
 C    5.198000      0.6581000      -1.506200    
 C    5.649700       1.721800     -0.7251000    
 C   -6.455400       1.500000     -0.8824000    
 C    1.423500      -4.168700      0.5607000    
 H   0.4659000      -1.740700       1.504500    
 H    2.020100     -0.3840000       1.428800    
 H    3.782500     -0.9170000      -1.722200    
 H    5.350100       2.883600       1.052100    
 H   -4.083200       2.735900     -0.7207000    
 H    2.114800       1.909300       1.937700    
 H    3.259800      0.8917000       2.861000    
 H    3.606400       2.597300       2.570700    
 H   -3.884400      -1.982800      0.8072000    
 H   -6.008100      -1.027800      1.3500000E-02
 H    5.721900      0.3958000      -2.420700    
 H    6.521200       2.291100      -1.035000    
 H   -6.552300       2.547300     -0.5769000    
 H   -6.507100       1.444000      -1.974300    
 H   -7.314900      0.9641000     -0.4655000    
 H    2.289800      -3.900900     -4.8500001E-02
 H    1.638100      -3.997800       1.618700    
 H    1.203700      -5.230400      0.4173000    


%chk=000110864-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110864

0 1
O 2.414712 -2.485418 -0.875904
O -0.976387 -4.164780 0.358552
O -2.076345 3.274817 1.643645
O -0.470001 1.791904 0.986268
N 2.104909 -0.449968 0.269792
N -0.686766 -1.522649 -0.080929
N -1.260084 -0.661255 0.693913
N -1.708166 2.178401 1.068315
C 0.443464 -2.212079 0.610037
C 3.238027 0.312290 -0.164059
C 3.561691 1.493660 0.576123
C 1.765452 -1.745792 -0.082710
C 4.013888 -0.075916 -1.287221
C -2.438752 -0.043685 0.178874
C 0.187657 -3.741754 0.571259
C -4.984473 1.109264 -0.474340
C -2.735828 1.315545 0.472627
C 4.660253 2.268960 0.137425
C 2.774455 1.905819 1.808562
C -3.990161 1.883462 0.163084
C -3.438148 -0.818634 -0.466487
C -4.679072 -0.245789 -0.792951
C 5.106346 0.718807 -1.692200
C 5.432114 1.897502 -0.986367
C -6.339451 1.697545 -0.814693
C 1.354358 -4.652474 0.878688
H 0.478040 -1.915431 1.683623
H 1.443866 0.046447 0.878513
H 3.763110 -0.993173 -1.822221
H 4.916164 3.177055 0.695787
H -4.161315 2.934496 0.412989
H 1.720365 2.154445 1.580911
H 2.772149 1.108370 2.577796
H 3.223764 2.801152 2.269105
H -3.215098 -1.868898 -0.681184
H -5.433486 -0.857080 -1.301982
H 5.698679 0.412667 -2.561308
H 6.278806 2.517382 -1.300364
H -6.374559 2.781698 -0.618013
H -6.591006 1.534885 -1.878657
H -7.138838 1.221562 -0.215900
H 2.045906 -4.643147 0.015752
H 1.933341 -4.287502 1.747818
H 0.990518 -5.674310 1.065635


