%chk=000172687.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172687

0 1
 O   -4.308100       1.066300     -9.0599999E-02
 O   -5.516200      -1.158900     -0.6988000    
 O   -4.729200      -2.910700      0.5432000    
 N   -1.972700      0.9341000     -8.9299999E-02
 N  -0.9221000      -1.200900      7.2400004E-02
 N    1.499300      4.9999999E-03  0.4178000    
 N    2.672600      0.6640000      0.3959000    
 C   -1.806800       2.393800     -0.1518000    
 C  -0.5785000       2.748600     -0.9862000    
 C   0.6840000       2.158800     -0.3918000    
 C  -0.8665000      9.2299998E-02  2.4999999E-03
 C   0.5019000      0.7245000      1.9600000E-02
 C   -1.773000       2.998500       1.254000    
 C   -3.269500      0.4098000     -6.8000004E-02
 C   -3.324200      -1.073500     -5.5000000E-03
 C   -2.173600      -1.753700      5.7599999E-02
 C   -4.575800      -1.833800     -4.9000001E-03
 C    3.875900     -2.4100000E-02  0.1749000    
 C    5.090400      0.6688000      0.1561000    
 C    3.868700      -1.407500     -2.8400000E-02
 C    6.286000     -1.5100000E-02 -6.4000003E-02
 C    5.064500      -2.091300     -0.2485000    
 C    6.273000      -1.395000     -0.2663000    
 H   -2.682300       2.813400     -0.6636000    
 H  -0.4750000       3.836000      -1.077200    
 H  -0.7126000       2.356100      -2.003000    
 H   0.9719000       2.744400      0.4892000    
 H    1.483100       2.242600      -1.137100    
 H   -1.622600       4.081900       1.208300    
 H   -2.719100       2.812100       1.774100    
 H  -0.9791000       2.565800       1.871300    
 H   -2.172400      -2.839000      0.1014000    
 H    2.739400       1.653800      0.5994000    
 H    5.115300       1.744500      0.3119000    
 H    2.946500      -1.982600     -2.1600001E-02
 H   -6.372300      -1.637500     -0.7213000    
 H    7.227000      0.5269000     -7.8100003E-02
 H    5.055000      -3.165900     -0.4061000    
 H    7.203900      -1.927400     -0.4377000    


%chk=000172687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172687

0 1
O -4.290324 1.164275 0.090618
O -5.697017 -1.236419 -0.042113
O -4.460754 -3.183679 -0.242749
N -1.960018 0.988966 -0.133394
N -0.823417 -1.118330 -0.333894
N 1.574814 0.161586 -0.175530
N 2.803128 0.725442 -0.210551
C -1.918475 2.482353 -0.000832
C -0.805032 3.029380 -0.910778
C 0.569563 2.441216 -0.534835
C -0.798628 0.237560 -0.262081
C 0.499074 0.935938 -0.322058
C -1.790546 2.881792 1.486402
C -3.305227 0.390245 -0.060671
C -3.282842 -1.065416 -0.170898
C -2.043825 -1.724270 -0.281984
C -4.488242 -1.924555 -0.156727
C 3.963677 -0.078314 -0.054363
C 5.232614 0.554807 -0.075625
C 3.860409 -1.482196 0.117986
C 6.401221 -0.220881 0.076772
C 5.038007 -2.241047 0.269977
C 6.311621 -1.621500 0.250926
H -2.904593 2.824741 -0.359854
H -0.782235 4.131045 -0.834759
H -1.044771 2.775698 -1.960405
H 0.957962 2.932897 0.382793
H 1.294665 2.671773 -1.344706
H -1.786582 3.982807 1.581265
H -2.653904 2.494737 2.052793
H -0.867681 2.486842 1.947454
H -2.044265 -2.818140 -0.338013
H 2.939161 1.737826 -0.344970
H 5.307561 1.642018 -0.209143
H 2.869647 -1.943655 0.128051
H -6.428802 -1.913679 -0.046386
H 7.380216 0.270311 0.059851
H 4.960753 -3.325719 0.403043
H 7.219886 -2.221353 0.369184


