%chk=000127615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127615

0 1
 O   0.9465000       2.268600      -2.126900    
 O    2.923200       3.959600      0.2879000    
 O    4.879800       2.973300     -0.2681000    
 N    1.498800       1.775200      7.6099999E-02
 N    3.339700      -2.884100     -0.2617000    
 C   -1.330100      0.9673000      0.1602000    
 C   -1.465100     -0.1498000     -0.8647000    
 C   -2.763500       1.103700      0.6535000    
 C  -0.7919000       2.257700     -0.4448000    
 C   -2.808800     -0.5790000     -0.9516000    
 C   -3.605400      0.1900000     -2.0000000E-02
 C   0.6288000       2.110000     -0.9513000    
 C  -0.4779000     -0.7133000      -1.656700    
 C   -3.265800       1.978000       1.603600    
 C    2.915100       1.569300     -0.1241000    
 C   -3.171700      -1.587000      -1.830100    
 C   -4.960800      0.1401000      0.2624000    
 C    3.481000      0.5749000      0.8994000    
 C    3.173500     -0.8580000      0.5671000    
 C  -0.8440000      -1.729100      -2.541600    
 C   -4.631700       1.927300       1.887900    
 C   -2.177600      -2.162300      -2.626900    
 C   -5.470900       1.016700       1.224500    
 C    2.036000      -1.573500      0.9872000    
 C    2.161600      -2.856500      0.4502000    
 C    3.961400      -1.666300     -0.1933000    
 C    3.676200       2.885000     -4.8900001E-02
 C   0.9033000      -1.273800       1.769900    
 C    1.207400      -3.858900      0.6577000    
 C  -5.9500001E-02  -2.266500       1.985800    
 C   9.2299998E-02  -3.538500       1.437300    
 H  -0.7315000      0.6262000       1.002000    
 H  -0.8015000       3.068600      0.2944000    
 H   -1.415500       2.591500      -1.284600    
 H   0.5606000     -0.4165000      -1.594400    
 H   -2.621500       2.681800       2.118900    
 H    3.056300       1.199000      -1.147600    
 H   -4.197600      -1.931200      -1.908500    
 H   -5.621800     -0.5561000     -0.2430000    
 H    3.114200      0.8107000       1.907200    
 H    4.573400      0.6767000      0.9569000    
 H    1.155400       1.782100       1.031900    
 H  -8.8299997E-02  -2.195700      -3.167900    
 H   -5.052400       2.599700       2.630900    
 H   -2.438500      -2.956000      -3.322200    
 H   -6.531200      0.9956000       1.462500    
 H    4.903800      -1.500300     -0.6963000    
 H    3.693400      -3.687500     -0.7625000    
 H   0.7924000     -0.3016000       2.238900    
 H    1.324500      -4.849200      0.2308000    
 H  -0.9314000      -2.042900       2.594900    
 H  -0.6674000      -4.294600       1.618400    
 H    3.455500       4.782600      0.3273000    


%chk=000127615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127615

0 1
O 1.597048 1.243694 -1.991161
O 3.168812 3.868800 1.561395
O 5.191067 3.373725 0.524661
N 1.819724 2.006320 0.193492
N 2.269897 -2.475933 -0.438577
C -1.158076 0.459587 -0.369621
C -1.484553 -0.462943 -1.551444
C -2.533929 0.659274 0.273440
C -0.451840 1.811584 -0.733717
C -2.873966 -0.795221 -1.546336
C -3.523481 -0.099300 -0.419727
C 1.060547 1.664524 -0.918151
C -0.633774 -0.978277 -2.546994
C -2.883308 1.424195 1.399382
C 3.273386 1.855694 0.204358
C -3.414051 -1.658441 -2.525104
C -4.867886 -0.090936 0.013200
C 3.766796 0.615638 1.055204
C 3.025064 -0.645084 0.701237
C -1.179418 -1.839584 -3.532643
C -4.232995 1.436030 1.833990
C -2.555015 -2.181736 -3.518864
C -5.216384 0.683389 1.144542
C 1.917996 -1.228675 1.441107
C 1.459015 -2.374324 0.697379
C 3.206010 -1.435580 -0.434977
C 3.991579 3.093358 0.723965
C 1.260682 -0.895878 2.657159
C 0.375719 -3.173320 1.123634
C 0.179800 -1.689232 3.088922
C -0.260812 -2.814074 2.328565
H -0.508003 -0.081048 0.350390
H -0.662574 2.545998 0.066440
H -0.880473 2.203335 -1.671798
H 0.420820 -0.687757 -2.576295
H -2.128940 2.002387 1.947169
H 3.578360 1.691696 -0.844740
H -4.478960 -1.917686 -2.521551
H -5.632824 -0.671253 -0.515201
H 3.628830 0.844494 2.129039
H 4.854314 0.519355 0.881873
H 1.369147 2.396062 1.022747
H -0.531979 -2.236725 -4.323208
H -4.519019 2.029277 2.709880
H -2.956344 -2.849431 -4.290016
H -6.255316 0.703426 1.492816
H 3.916629 -1.319131 -1.251102
H 2.161662 -3.167385 -1.177220
H 1.590253 -0.038962 3.256715
H 0.029911 -4.032765 0.539039
H -0.337716 -1.442221 4.022542
H -1.111176 -3.404480 2.686357
H 3.690543 4.638538 1.915809


