%chk=000088970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088970

0 1
 O   -1.585900      -2.422900      9.9399999E-02
 O    3.487000     -0.9193000      0.8337000    
 O   -3.718200      -3.012100     -0.5661000    
 O    3.905900      0.6088000     -0.8474000    
 N  -9.8099999E-02 -0.1214000      0.7516000    
 C  -0.9840000     -0.7481000       1.712400    
 C    1.131500     -0.7935000      0.3815000    
 C  -0.4219000       1.133200      0.1942000    
 C   -2.120300      -1.451500      0.9899000    
 C    2.293700     -0.2278000       1.179900    
 C   -1.606500       1.773500      0.5577000    
 C   0.4438000       1.734400     -0.7196000    
 C   -1.925700       3.014800      7.4000000E-03
 C   0.1246000       2.975700      -1.269800    
 C   -1.060100       3.616000     -0.9063000    
 C   -3.192100       3.699600      0.3954000    
 C   -2.502300      -3.136800     -0.6219000    
 C    4.201600     -0.3895000     -0.2048000    
 C   -1.799000      -4.116000      -1.512100    
 C    5.426000      -1.216700     -0.4553000    
 H  -0.4200000      -1.503300       2.276200    
 H   -1.348700     -5.0299998E-02   2.474200    
 H    1.059900      -1.867200      0.6042000    
 H    1.316500     -0.7790000     -0.6992000    
 H   -2.740900     -0.7502000      0.4229000    
 H   -2.755300      -1.953900       1.729300    
 H    2.125600     -0.3986000       2.250000    
 H    2.416600      0.8552000       1.068300    
 H   -2.311700       1.354700       1.267500    
 H    1.372900       1.287300      -1.049400    
 H   0.7974000       3.443800      -1.982600    
 H   -1.295300       4.583400      -1.342000    
 H   -3.467600       4.476600     -0.3258000    
 H   -3.080900       4.166900       1.378900    
 H   -4.022800       2.986500      0.4327000    
 H   -1.222100      -4.819100     -0.9062000    
 H   -1.147000      -3.581800      -2.207700    
 H   -2.538700      -4.678000      -2.089500    
 H    5.135900      -2.236400     -0.7205000    
 H    6.062000      -1.215700      0.4334000    
 H    5.990000     -0.7870000      -1.288200    


%chk=000088970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088970

0 1
O -1.571869 -2.610914 0.131371
O 3.528634 -1.044626 0.789141
O -3.674084 -3.250718 -0.642372
O 3.818888 0.533862 -0.904761
N -0.132339 -0.018001 0.754360
C -1.092120 -0.735839 1.601883
C 1.087757 -0.732687 0.349926
C -0.415453 1.274516 0.252650
C -2.210728 -1.460793 0.836923
C 2.296003 -0.323444 1.225385
C -1.663218 1.918053 0.523033
C 0.541656 1.979874 -0.541570
C -1.956463 3.213710 0.037383
C 0.239020 3.264811 -1.033060
C -0.995792 3.890808 -0.754692
C -3.283509 3.874890 0.376410
C -2.437454 -3.434228 -0.603450
C 4.207789 -0.495783 -0.306054
C -1.663271 -4.512765 -1.328887
C 5.439164 -1.312131 -0.628811
H -0.544530 -1.484410 2.203366
H -1.561078 -0.037245 2.320877
H 0.913094 -1.817430 0.441816
H 1.318166 -0.529372 -0.711272
H -2.694742 -0.810471 0.088357
H -2.985013 -1.852944 1.523009
H 2.159810 -0.634669 2.273217
H 2.470898 0.764343 1.168745
H -2.433205 1.412330 1.115170
H 1.520702 1.548768 -0.773100
H 0.988690 3.783745 -1.641794
H -1.213710 4.890843 -1.146675
H -3.670118 4.460436 -0.476901
H -3.173408 4.573463 1.228819
H -4.051705 3.131854 0.655015
H -0.792087 -4.840119 -0.740127
H -1.292195 -4.112337 -2.290166
H -2.326741 -5.364252 -1.541668
H 5.153349 -2.350178 -0.872071
H 6.108303 -1.353732 0.247801
H 5.968707 -0.862917 -1.480925


