%chk=000129955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129955

0 1
 O   -2.217000       1.682600     -0.2071000    
 O  -0.6957000      0.5883000      -1.521900    
 O   -1.023900      -4.238400      -1.289500    
 O  -0.8386000      0.1113000       3.048700    
 N  -0.6757000      0.2713000      0.7778000    
 N   -1.338000      0.6558000       2.058200    
 N    3.530300      1.1900000E-02  -1.244700    
 C   0.4363000     -0.6560000      0.8004000    
 C   6.9100000E-02  -1.943900      3.5399999E-02
 C    1.691200      2.0400001E-02  0.2885000    
 C   -1.224100      -2.611400      0.5054000    
 C    2.120800       1.197800      0.8580000    
 C    2.402700     -0.5392000     -0.7421000    
 C   -1.161100      0.8298000     -0.4095000    
 C   -1.613600      -3.832600     -0.2940000    
 C    3.276900       1.795200      0.3679000    
 C    3.939000       1.167900     -0.6750000    
 C   -2.765900       2.293800      -1.380400    
 C   -3.912500       3.195600     -0.9763000    
 H   0.6665000     -0.9693000       1.825900    
 H  -3.2499999E-02  -1.754800      -1.040600    
 H   0.8791000      -2.678800      0.1415000    
 H   -1.122900      -2.922100       1.551100    
 H   -2.072700      -1.923100      0.4387000    
 H    1.589000       1.664600       1.681000    
 H    2.139100      -1.461500      -1.242900    
 H   -2.511300      -4.359400      7.3700003E-02
 H    3.649100       2.721400      0.7905000    
 H    4.845900       1.592800      -1.092600    
 H   -3.129000       1.515500      -2.060800    
 H   -1.990000       2.883400      -1.881200    
 H   -4.356300       3.679800      -1.850600    
 H   -4.688300       2.623100     -0.4571000    
 H   -3.568400       3.967900     -0.2805000    


%chk=000129955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129955

0 1
O -2.238861 1.789692 -0.286936
O -0.879059 0.453710 -1.642505
O -0.665372 -4.719781 -0.823763
O -1.070671 -0.011883 2.938086
N -0.829157 0.217964 0.694290
N -1.540052 0.546158 1.896022
N 3.312340 0.454934 -1.510302
C 0.358215 -0.710202 0.689030
C 0.042016 -2.045718 -0.023217
C 1.605303 0.028792 0.201780
C -1.130837 -2.794677 0.635219
C 2.226667 0.975323 1.055984
C 2.190484 -0.189599 -1.071547
C -1.301605 0.808466 -0.517721
C -1.368072 -4.182223 0.064444
C 3.381695 1.655896 0.617671
C 3.888527 1.363798 -0.669815
C -2.797029 2.436017 -1.526166
C -3.774489 3.501632 -1.048034
H 0.492389 -0.924091 1.769715
H -0.174905 -1.880521 -1.091248
H 0.947832 -2.678299 0.023537
H -0.976362 -2.912693 1.730451
H -2.084149 -2.231492 0.542625
H 1.811490 1.171317 2.052318
H 1.751789 -0.900393 -1.777872
H -2.243867 -4.724680 0.506775
H 3.883841 2.389724 1.255731
H 4.784723 1.866338 -1.051331
H -3.281307 1.649910 -2.132642
H -1.952789 2.853729 -2.102662
H -4.219084 4.012295 -1.921430
H -4.588869 3.054278 -0.453833
H -3.263272 4.255980 -0.426754


