%chk=000036131.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036131

0 1
 O    1.198900      -1.661800      -2.132700    
 N    1.597100     -2.4000000E-02 -0.5130000    
 N   0.1813000       3.163600      0.8352000    
 C    1.046300      0.9055000      0.4709000    
 C   0.7558000       2.261800     -0.1547000    
 C    3.048200     -2.5900001E-02 -0.6354000    
 C    3.710200      -1.026300      0.3062000    
 C   0.3521000       4.558500      0.4240000    
 C   -1.237600       2.866600       1.042400    
 C   0.7803000     -0.8611000      -1.289800    
 C    5.237000      -1.011900      0.2002000    
 C  -0.6657000     -0.8096000      -1.093800    
 C   -1.329700      -1.629700     -0.1670000    
 C  -0.3865000       4.843000     -0.8728000    
 C   -1.832900       3.755600       2.121000    
 C    5.871400      -1.974600       1.191800    
 C   -2.734400      -1.524200     -3.1700000E-02
 C   -1.376400      0.1011000      -1.876200    
 C  -0.6304000      -2.552000      0.6286000    
 C   -3.433900     -0.6017000     -0.8269000    
 C   -2.757800      0.2051000      -1.742700    
 C   -3.398600      -2.344100      0.8952000    
 C   -1.306500      -3.358900       1.544100    
 C   -2.688100      -3.255100       1.677100    
 H   0.1549000      0.4634000      0.9186000    
 H    1.767500       1.010900       1.291400    
 H   0.1224000       2.159400      -1.039100    
 H    1.712500       2.661700     -0.5170000    
 H    3.302400     -0.2912000      -1.668500    
 H    3.427900      0.9873000     -0.4622000    
 H    3.337000      -2.035500      9.0599999E-02
 H    3.416700     -0.8045000       1.339800    
 H   4.3800000E-02   5.259300       1.207000    
 H    1.420800       4.766000      0.2813000    
 H   -1.842200       2.911100      0.1298000    
 H   -1.345100       1.841300       1.413400    
 H    5.612800     -1.9999999E-04  0.3918000    
 H    5.540600      -1.284900     -0.8169000    
 H  -7.0600003E-02   4.210600      -1.707000    
 H   -1.474200       4.789200     -0.7751000    
 H  -0.1659000       5.873400      -1.177900    
 H   -1.204600       3.780500       3.018200    
 H   -2.000200       4.780600       1.777000    
 H   -2.810900       3.362300       2.420900    
 H    5.536700      -3.001000       1.010600    
 H    6.961600      -1.951000       1.098200    
 H    5.612900      -1.705200       2.220900    
 H  -0.8681000      0.7264000      -2.605800    
 H   0.4487000      -2.665100      0.5566000    
 H   -4.513900     -0.5037000     -0.7398000    
 H   -3.310700      0.9127000      -2.353500    
 H   -4.478000      -2.279800       1.016100    
 H  -0.7541000      -4.068300       2.153500    
 H   -3.213800      -3.883400       2.390100    


%chk=000036131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036131

0 1
O 1.335665 -1.738928 -2.144075
N 1.493060 -0.052086 -0.545226
N 0.078549 3.256894 0.732628
C 0.884367 0.914255 0.394819
C 0.638935 2.304675 -0.251535
C 2.969539 -0.038405 -0.686042
C 3.668807 -1.023613 0.278883
C 0.586440 4.645564 0.597647
C -1.393808 3.131324 0.891872
C 0.768987 -0.949638 -1.318103
C 5.208365 -0.956234 0.163909
C -0.739431 -0.961140 -1.152174
C -1.360357 -1.760957 -0.123727
C 0.146998 5.418812 -0.676728
C -1.923023 3.781057 2.184078
C 5.918221 -1.946067 1.112446
C -2.808213 -1.810315 -0.051339
C -1.533970 -0.267763 -2.072852
C -0.596695 -2.512371 0.831764
C -3.586084 -1.074179 -1.005127
C -2.960181 -0.321041 -1.999786
C -3.429057 -2.601636 0.971911
C -1.230315 -3.274439 1.815485
C -2.659000 -3.319253 1.888927
H -0.064252 0.507086 0.780777
H 1.558416 1.045559 1.260623
H -0.015370 2.170451 -1.146011
H 1.605546 2.699255 -0.619173
H 3.214894 -0.311326 -1.727762
H 3.325214 0.993399 -0.500198
H 3.322127 -2.048873 0.046453
H 3.365289 -0.802393 1.322905
H 0.278955 5.215042 1.494038
H 1.692032 4.596627 0.629191
H -1.945543 3.546798 0.011480
H -1.633539 2.051939 0.917545
H 5.549655 0.076805 0.382700
H 5.504838 -1.169408 -0.883018
H 0.463199 4.891286 -1.595547
H -0.949624 5.549630 -0.717754
H 0.605913 6.425056 -0.688761
H -1.383646 3.380457 3.060489
H -1.804249 4.879752 2.178194
H -3.000426 3.564497 2.304038
H 5.619008 -2.987624 0.891221
H 7.017456 -1.882111 1.014658
H 5.659719 -1.739390 2.168218
H -1.054922 0.311699 -2.869776
H 0.497256 -2.492783 0.771581
H -4.680110 -1.118430 -0.945150
H -3.556773 0.231907 -2.733291
H -4.524246 -2.636744 1.019253
H -0.634287 -3.847852 2.533865
H -3.143329 -3.922628 2.664556


