%chk=000068811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068811

0 1
 O   0.7635000       1.589000     -0.9157000    
 O    3.023000       1.579200      -2.537300    
 O   -5.679500      -1.666600     -0.6602000    
 N   -3.383800      -1.278700     -0.4204000    
 N    3.268000     -0.3838000      0.5928000    
 C    3.284900      -1.819000      0.8410000    
 C   -1.292200      0.6152000     -0.1274000    
 C   -1.220500     -0.4460000      -1.196800    
 C   -2.385200      0.6681000      0.7583000    
 C   -2.042300      -1.676100     -0.8282000    
 C   -3.487400     -0.3607000      0.7109000    
 C    3.179400     -0.1031000     -0.8338000    
 C    3.149100       1.399500      -1.123700    
 C  -0.2914000       1.593500     -5.1300000E-02
 C    1.994400       2.124900     -0.4364000    
 C    4.500700      -2.441400      0.1445000    
 C    1.992100      -2.425600      0.2856000    
 C    3.367900      -2.052200       2.353300    
 C   -2.438600       1.682200       1.725200    
 C  -0.3593000       2.600000      0.9116000    
 C   -1.430300       2.642900       1.800500    
 C   -4.512400      -1.841400     -0.9925000    
 H   -1.602600     -1.2600000E-02  -2.129500    
 H  -0.1858000     -0.7592000      -1.369900    
 H   -1.589900      -2.210500      1.6300000E-02
 H   -2.086400      -2.370200      -1.674100    
 H   -4.464300      0.1349000      0.6789000    
 H   -3.444800     -0.9743000       1.618800    
 H    4.037900     -0.4997000      -1.386200    
 H    2.287500     -0.5317000      -1.299900    
 H    4.106900      5.1800001E-02  0.9753000    
 H    4.094100       1.862200     -0.8147000    
 H    2.024700       3.187500     -0.7055000    
 H    2.110700       2.021700      0.6494000    
 H    5.424600      -1.898200      0.3764000    
 H    4.645500      -3.472900      0.4896000    
 H    4.398100      -2.503500     -0.9438000    
 H    1.971900      -2.502100     -0.8063000    
 H    1.108200      -1.866800      0.6153000    
 H    1.869400      -3.451700      0.6551000    
 H    2.513900      -1.602600       2.873600    
 H    3.371500      -3.122400       2.589600    
 H    4.282100      -1.618600       2.775800    
 H   -3.270800       1.729800       2.423200    
 H   0.3772000       3.394700      0.9833000    
 H   -1.487200       3.430700       2.546100    
 H   -4.260300      -2.511300      -1.830600    
 H    3.794300       1.160600      -2.956300    


%chk=000068811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068811

0 1
O 0.766018 1.058040 -0.497689
O 2.766404 1.796735 -2.504094
O -5.930793 -1.018462 -1.520954
N -3.728917 -1.192315 -0.721142
N 3.870508 -0.378889 0.380513
C 3.756722 -1.780186 0.903297
C -1.497407 0.451835 -0.049089
C -1.338337 -0.655914 -1.080097
C -2.718284 0.647980 0.639389
C -2.381136 -1.769462 -0.860414
C -3.936348 -0.232750 0.376992
C 3.383418 -0.079219 -0.977879
C 3.093455 1.434704 -1.116743
C -0.401172 1.319350 0.236576
C 1.936570 1.910842 -0.242799
C 4.480053 -2.814710 -0.010841
C 2.261769 -2.160458 1.048034
C 4.418097 -1.771938 2.303291
C -2.836244 1.681276 1.605156
C -0.516117 2.351757 1.195911
C -1.743157 2.523546 1.877697
C -4.761950 -1.497345 -1.586064
H -1.443737 -0.236396 -2.099928
H -0.317293 -1.074480 -1.021297
H -2.128775 -2.338399 0.057938
H -2.387041 -2.479551 -1.707141
H -4.816334 0.379099 0.105219
H -4.207425 -0.778355 1.306520
H 4.099866 -0.371236 -1.788566
H 2.442450 -0.621059 -1.162826
H 4.825173 -0.020843 0.528034
H 3.995645 2.000970 -0.783349
H 1.696450 2.962813 -0.492237
H 2.237377 1.822673 0.819162
H 5.561167 -2.588224 -0.083185
H 4.372433 -3.840393 0.388702
H 4.056809 -2.806648 -1.032468
H 1.764656 -2.262666 0.066195
H 1.726488 -1.387799 1.626547
H 2.167619 -3.129440 1.571050
H 3.899017 -1.059868 2.968754
H 4.378582 -2.776739 2.760107
H 5.483193 -1.472970 2.238791
H -3.787273 1.825525 2.131232
H 0.322752 3.017394 1.414586
H -1.839035 3.324462 2.618970
H -4.450318 -2.227264 -2.369511
H 3.430904 1.380476 -3.110449


