%chk=000122337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122337

0 1
 O  -0.6996000      0.6038000      0.2597000    
 O    5.285300      0.5907000     -0.7857000    
 O   0.8811000       1.791300     -0.9278000    
 O    5.471500      -1.489700      9.7400002E-02
 N    2.812300      -1.740600      0.4641000    
 C    2.912700      0.7162000      0.8819000    
 C    3.265500     -0.4514000     -5.4400001E-02
 C    1.425200      0.8164000       1.232000    
 C   0.5408000       1.134600      4.6700001E-02
 C    4.773800     -0.5348000     -0.2192000    
 C   -1.663100      0.8569000     -0.7678000    
 C   -2.964300      0.2130000     -0.3883000    
 C   -3.225000      -1.095500     -0.7797000    
 C   -3.897800      0.9307000      0.3509000    
 C   -4.434800      -1.693900     -0.4273000    
 C   -5.107500      0.3324000      0.7034000    
 C   -5.376000     -0.9800000      0.3141000    
 H    3.238300       1.660300      0.4265000    
 H    3.481000      0.6202000       1.817000    
 H    2.824400     -0.3044000      -1.046100    
 H    1.278700       1.618900       1.964300    
 H    1.087900     -0.1158000       1.698600    
 H   -1.302900      0.4507000      -1.721300    
 H   -1.797300       1.938800     -0.8913000    
 H    3.233400      -1.919400       1.374800    
 H    3.117200      -2.492000     -0.1531000    
 H   -2.498000      -1.661500      -1.355600    
 H   -3.698300       1.952700      0.6610000    
 H   -4.643600      -2.715900     -0.7298000    
 H   -5.840300      0.8879000       1.281400    
 H   -6.317800      -1.446000      0.5888000    
 H    6.258200      0.5337000     -0.8968000    


%chk=000122337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122337

0 1
O -0.802693 -0.018594 0.174776
O 5.063687 1.651414 -0.569712
O 0.969244 0.448852 -1.261852
O 6.165488 -0.137813 0.417008
N 3.790795 -1.729181 0.306174
C 2.816638 0.458028 1.036174
C 3.717681 -0.294357 0.003346
C 1.404001 -0.152362 1.107166
C 0.555596 0.134552 -0.117924
C 5.104707 0.365007 -0.018929
C -1.742567 0.190177 -0.987181
C -3.151157 0.054748 -0.467525
C -3.854729 -1.167726 -0.605205
C -3.793870 1.150740 0.162745
C -5.175552 -1.296131 -0.119863
C -5.112585 1.025625 0.651602
C -5.807121 -0.199050 0.510241
H 2.776513 1.526834 0.761712
H 3.280693 0.381039 2.039048
H 3.248396 -0.150146 -0.985682
H 0.856729 0.188043 2.003089
H 1.519166 -1.252904 1.188468
H -1.500593 -0.564880 -1.755840
H -1.534553 1.190637 -1.406530
H 4.467868 -1.945392 1.047717
H 3.947686 -2.318253 -0.517075
H -3.365362 -2.020589 -1.091166
H -3.256705 2.100612 0.272299
H -5.710184 -2.245683 -0.233336
H -5.599425 1.878786 1.136941
H -6.832128 -0.296087 0.885407
H 5.975339 2.052352 -0.547691


