%chk=000097925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097925

0 1
 O   -4.891900     -0.5166000      0.7477000    
 O    4.947900     -0.9831000     -0.3839000    
 N   -1.408100      0.2640000     -0.2538000    
 N    1.475200      0.3131000     -0.2176000    
 C  -0.6822000       1.512300     -0.5499000    
 C   0.7035000       1.163100      -1.134000    
 C  -0.6532000     -0.6314000      0.6282000    
 C   0.7396000     -0.9262000      6.0699999E-02
 C   -2.762800      0.4812000      0.2425000    
 C    2.795800      1.8100001E-02 -0.7705000    
 C  -0.5490000       2.486000      0.6328000    
 C   -3.569500     -0.8183000      0.3033000    
 C    3.664000     -0.7797000      0.2055000    
 C   -3.684600      -1.513800      -1.047000    
 C    3.875200     -6.8400003E-02   1.536000    
 H   -1.230800       2.039200      -1.342100    
 H   0.5737000      0.6631000      -2.104300    
 H    1.251000       2.094100      -1.328500    
 H   -1.140500      -1.605800      0.7278000    
 H  -0.5643000     -0.2120000       1.638400    
 H    1.248100      -1.534600      0.8148000    
 H   0.6444000      -1.537000     -0.8476000    
 H   -2.764200      0.9400000       1.239700    
 H   -3.294200       1.185900     -0.4111000    
 H    2.723000     -0.5271000      -1.721600    
 H    3.318300      0.9549000      -1.007400    
 H   2.5100000E-02   3.370000      0.3329000    
 H   -1.527500       2.842700      0.9694000    
 H  -3.6699999E-02   2.037800       1.489700    
 H   -3.161700      -1.509300       1.046600    
 H    3.256800      -1.780600      0.3766000    
 H   -4.146400     -0.8525000      -1.788700    
 H   -4.331300      -2.395000     -0.9706000    
 H   -2.711900      -1.840300      -1.425900    
 H    2.938300      6.6200003E-02   2.084200    
 H    4.337400      0.9135000       1.384500    
 H    4.560600     -0.6400000       2.171700    
 H   -5.378800      -1.355400      0.8193000    
 H    5.473000      -1.524800      0.2298000    


%chk=000097925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097925

0 1
O -5.008821 -0.571151 0.798449
O 5.037297 -1.077313 -0.330429
N -1.417425 0.035165 0.002009
N 1.461388 -0.019728 -0.173707
C -0.670957 1.263226 -0.401242
C 0.647365 0.826912 -1.082512
C -0.623140 -0.854926 0.879788
C 0.697662 -1.238974 0.192994
C -2.797083 0.273623 0.479867
C 2.808419 -0.320438 -0.713551
C -0.411664 2.279165 0.746502
C -3.758192 -0.858341 0.059662
C 3.837519 -0.605970 0.397993
C -3.985105 -0.909884 -1.458069
C 4.137444 0.629180 1.259932
H -1.287517 1.763203 -1.175693
H 0.390646 0.282185 -2.026334
H 1.235311 1.723761 -1.351270
H -1.206405 -1.773653 1.076386
H -0.399554 -0.387517 1.869846
H 1.302102 -1.858829 0.880042
H 0.467211 -1.854590 -0.714253
H -2.860692 0.380871 1.587659
H -3.174029 1.217537 0.042375
H 2.802655 -1.191581 -1.411874
H 3.166456 0.553924 -1.288890
H -0.015815 3.226227 0.334183
H -1.344417 2.512975 1.291383
H 0.331021 1.885293 1.461080
H -3.345833 -1.833291 0.402165
H 3.461052 -1.425365 1.049343
H -4.492854 0.010708 -1.801078
H -4.602864 -1.780832 -1.751082
H -3.008402 -0.987537 -1.968208
H 3.192132 1.027793 1.669575
H 4.615628 1.415799 0.647435
H 4.810041 0.385272 2.105013
H -5.715676 -1.187616 0.480043
H 5.786393 -1.161979 0.312068


