%chk=000086372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086372

0 1
 O    2.155000       2.444000      0.8694000    
 O   -1.607500      -2.624600      6.8300001E-02
 O   -2.887800       2.562400      8.7800004E-02
 O    2.704300       4.720200     -0.6667000    
 N   0.9236000      -2.143300      0.4814000    
 N  -0.4352000       3.308400      0.5051000    
 C  -0.8211000     -0.3995000      0.2856000    
 C   -1.155300      0.9563000      0.2913000    
 C   0.5094000     -0.7915000      0.4755000    
 C   -3.262100     -0.9995000     -0.1195000    
 C   -3.596300      0.3563000     -0.1141000    
 C  -0.1590000       1.920200      0.4874000    
 C   -1.862400      -1.427000      8.0499999E-02
 C   -2.555200       1.383800      9.1700003E-02
 C    1.165700       1.525200      0.6765000    
 C    1.499200      0.1723000      0.6706000    
 C   -4.258400      -1.963400     -0.3158000    
 C   -4.926800      0.7484000     -0.3048000    
 C    2.128600      -2.769800      0.1171000    
 C   -5.582900      -1.568400     -0.5054000    
 C   -5.916500     -0.2155000     -0.4997000    
 C    3.219000       2.457200     -7.9200000E-02
 C    2.528400      -3.946600      0.7551000    
 C    2.931200      -2.218900     -0.8849000    
 C    3.749800       3.871900     -0.2078000    
 C    3.723400      -4.568700      0.3934000    
 C    4.126100      -2.841000      -1.246700    
 C    4.522100      -4.015900     -0.6075000    
 C    3.140700       6.067100     -0.7848000    
 H    2.530800     -0.1124000      0.8610000    
 H   0.2315000      -2.780600      0.8639000    
 H   -4.026900      -3.025100     -0.3248000    
 H   -5.215300       1.796100     -0.3052000    
 H   0.3223000       3.965000      0.6428000    
 H   -1.373700       3.655100      0.3692000    
 H   -6.355400      -2.316700     -0.6576000    
 H   -6.948500      8.9299999E-02 -0.6476000    
 H    4.014200       1.787000      0.2641000    
 H    2.859600       2.117200      -1.059100    
 H    1.915300      -4.387500       1.537300    
 H    2.637400      -1.319200      -1.418800    
 H    4.586000       3.895500     -0.9150000    
 H    4.091800       4.228600      0.7708000    
 H    4.031700      -5.483600      0.8909000    
 H    4.745500      -2.414100      -2.030000    
 H    5.451700      -4.501100     -0.8902000    
 H    3.458000       6.454600      0.1881000    
 H    2.302100       6.670200      -1.143300    
 H    3.959400       6.143400      -1.506800    


%chk=000086372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086372

0 1
O 1.737289 2.798076 0.278107
O -1.620809 -2.775420 0.111828
O -3.305091 2.513252 0.044084
O 3.778412 4.557908 -0.955401
N 0.824666 -2.041958 0.046127
N -0.849184 3.337383 0.105297
C -1.005762 -0.429720 0.065884
C -1.450935 0.950863 0.078164
C 0.406576 -0.720187 0.061750
C -3.422641 -1.184852 0.036688
C -3.859420 0.171907 0.024104
C -0.496690 2.015585 0.109626
C -1.978691 -1.519188 0.070792
C -2.879326 1.285590 0.049780
C 0.913015 1.677458 0.171266
C 1.350292 0.360112 0.136255
C -4.382342 -2.230803 0.018726
C -5.248101 0.463160 -0.007224
C 2.126517 -2.564220 -0.154062
C -5.756613 -1.932420 -0.014158
C -6.191738 -0.579710 -0.027188
C 3.195954 2.589298 0.303870
C 2.464955 -3.773590 0.516109
C 3.070160 -1.987540 -1.051159
C 3.860482 3.953446 0.371855
C 3.721694 -4.377530 0.309928
C 4.329698 -2.594754 -1.242005
C 4.668197 -3.787552 -0.561472
C 4.317466 5.917049 -0.982615
H 2.412667 0.124422 0.214723
H 0.002132 -2.702856 0.136761
H -4.016817 -3.261959 0.030521
H -5.550950 1.514658 -0.014604
H -0.116273 4.044716 0.113175
H -1.866715 3.530157 0.073232
H -6.493070 -2.743330 -0.029981
H -7.262654 -0.350270 -0.052264
H 3.461339 1.983395 1.193501
H 3.513317 2.059663 -0.615259
H 1.737054 -4.224324 1.199959
H 2.798634 -1.103198 -1.636186
H 4.924109 3.824266 0.676748
H 3.352333 4.585676 1.132724
H 3.965054 -5.307961 0.834965
H 5.040610 -2.144498 -1.944308
H 5.645413 -4.256433 -0.717596
H 3.757762 6.590191 -0.299027
H 4.202468 6.270882 -2.018535
H 5.393058 5.936962 -0.704006


