%chk=000160739.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160739

0 1
 O    1.989500     -0.2390000     -0.9561000    
 O    1.840900       2.741600      0.3939000    
 O    2.598100     -0.3966000       1.975400    
 O    4.376000      -1.556500      -1.615600    
 N  -0.2355000     -0.1072000     -0.1472000    
 N   -1.518700      -1.808100      0.5085000    
 N   -1.951600       1.519200     -0.7042000    
 N   -4.186200      0.6169000     -0.3186000    
 N   -4.552000      -1.599100      0.5074000    
 C    1.559800       1.391100      0.7537000    
 C   0.9773000      0.6531000     -0.4555000    
 C    2.852000      0.6534000       1.050500    
 C    3.232000      8.6999997E-02 -0.3123000    
 C    4.119800      -1.143800     -0.2829000    
 C   -1.526000      0.3220000     -0.2741000    
 C  -0.2830000      -1.391900      0.3254000    
 C   -2.305800     -0.7468000      0.1379000    
 C   -3.685200     -0.5683000      0.1056000    
 C   -3.301400       1.572900     -0.6917000    
 H   0.8730000       1.419200       1.605700    
 H   0.7178000       1.338700      -1.270800    
 H    3.646700       1.288400       1.454600    
 H    3.698100      0.8636000     -0.9322000    
 H    3.638400      -1.983700      0.2279000    
 H    5.075000     -0.9315000      0.2058000    
 H    2.439700       2.737300     -0.3719000    
 H    2.315800      1.3000000E-02   2.810900    
 H   0.6057000      -1.976600      0.5208000    
 H    3.518000      -1.733900      -2.037700    
 H   -3.737400       2.508500      -1.025300    
 H   -5.550600      -1.445300      0.4746000    
 H   -4.180600      -2.484600      0.8241000    


%chk=000160739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160739

0 1
O 1.921360 0.623625 -1.070161
O 2.385294 2.971157 0.808562
O 2.790579 -0.550913 1.988393
O 3.328887 -1.700211 -2.010698
N -0.112529 0.225914 0.262240
N -1.312416 -1.551908 1.090573
N -1.891452 1.305713 -1.099929
N -4.022745 0.082933 -0.978870
N -4.303327 -1.889620 0.292407
C 1.872147 1.625443 1.080960
C 0.963374 1.160820 -0.083641
C 3.049535 0.598121 1.105081
C 3.148675 0.101770 -0.360532
C 3.228588 -1.417460 -0.577868
C -1.409643 0.339050 -0.270301
C -0.118902 -0.934010 1.070347
C -2.129782 -0.763443 0.254635
C -3.496643 -0.871475 -0.137995
C -3.209441 1.098547 -1.402552
H 1.348516 1.706103 2.045734
H 0.460204 2.012701 -0.573192
H 3.968627 1.125403 1.421332
H 3.998171 0.571520 -0.888200
H 2.357648 -1.925227 -0.123651
H 4.148383 -1.822588 -0.126848
H 2.691304 3.016798 -0.135285
H 2.970912 -0.290621 2.925478
H 0.771212 -1.248873 1.611225
H 2.538363 -1.293949 -2.452548
H -3.674361 1.833442 -2.066124
H -5.271010 -1.918562 -0.021960
H -3.929928 -2.607200 0.909990


