%chk=000072022.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072022

0 1
 O   0.1644000      -2.352900     -0.1197000    
 O   0.3336000       2.970700      0.5770000    
 O   0.7324000       1.710800      -1.280300    
 O   -5.750300     -0.6808000      4.2599998E-02
 O   -4.380800      -1.900300      -1.299000    
 N    1.348000     -0.4266000      0.3727000    
 N   -2.163400      -1.106600      7.4299999E-02
 C    3.601000     -0.1791000      0.9872000    
 C    2.666600      -1.001800      9.3199998E-02
 C    2.979500       1.219300      0.9318000    
 C    1.472600      0.9416000      0.8865000    
 C    5.075400     -0.2422000      0.6005000    
 C    2.991300     -0.9156000      -1.403000    
 C    5.324000     -0.1336000     -0.9005000    
 C    4.473500      -1.131400      -1.678200    
 C   0.1994000      -1.204300      0.3276000    
 C   0.8190000       1.885400     -7.3899999E-02
 C   -1.061900     -0.5642000      0.8511000    
 C   -1.227900     -0.8766000       2.324600    
 C   -3.436300     -0.5372000      0.5003000    
 C   -3.415600      0.9970000      0.4348000    
 C   -4.533300      -1.132600     -0.3595000    
 C   -3.134000       1.570500     -0.9597000    
 C   -3.077200       3.090600     -0.9303000    
 H    3.502700     -0.5359000       2.022700    
 H    2.682900      -2.055000      0.3998000    
 H    3.249300       1.819000       1.807800    
 H    3.317800       1.771800      4.7100000E-02
 H    1.009400      0.9925000       1.876000    
 H    5.638100      0.5377000       1.126500    
 H    5.479800      -1.203300      0.9442000    
 H    2.398800      -1.656800      -1.952700    
 H    2.700800      6.1099999E-02  -1.807600    
 H    5.106400      0.8847000      -1.243600    
 H    6.384600     -0.3160000      -1.107900    
 H    4.756300      -2.154800      -1.403700    
 H    4.667700      -1.021600      -2.751100    
 H  -0.9908000      0.5072000      0.7069000    
 H   -2.198700      -2.120700      0.1847000    
 H   -1.483000      -1.930300       2.491600    
 H   -1.994200     -0.2586000       2.802700    
 H  -0.2956000     -0.6991000       2.872800    
 H   -3.675200     -0.8611000       1.520700    
 H  -7.2300002E-02   3.615400     -4.0500000E-02
 H   -2.733300       1.431500       1.173600    
 H   -4.403800       1.366200      0.7434000    
 H   -3.913000       1.256800      -1.663700    
 H   -2.180200       1.197000      -1.346600    
 H   -2.321800       3.446600     -0.2251000    
 H   -2.830200       3.480500      -1.922700    
 H   -4.043900       3.509600     -0.6326000    
 H   -6.475700      -1.047000     -0.5069000    


%chk=000072022-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072022

0 1
O 0.353513 -2.492412 0.442960
O -0.166640 2.684410 0.784139
O 0.794252 1.889051 -1.176478
O -5.601171 -0.505735 -0.342695
O -4.025157 -2.007690 -1.141280
N 1.433968 -0.462232 0.692192
N -1.986069 -0.797260 0.276410
C 3.755517 -0.084768 0.937451
C 2.739579 -1.022944 0.229840
C 3.059819 1.301333 0.857203
C 1.536582 0.984665 1.021371
C 5.188078 -0.143466 0.352659
C 2.849571 -1.024622 -1.316163
C 5.226041 -0.137639 -1.194894
C 4.310145 -1.242366 -1.771293
C 0.315996 -1.268200 0.793384
C 0.710027 1.859234 0.067923
C -0.996591 -0.689407 1.370187
C -1.351674 -1.486088 2.660560
C -3.339069 -0.279394 0.503298
C -3.446330 1.266335 0.313520
C -4.302379 -1.026518 -0.418211
C -3.052002 1.747246 -1.098414
C -3.151783 3.280754 -1.247788
H 3.797620 -0.380562 2.005581
H 2.811277 -2.062255 0.597107
H 3.407043 1.998665 1.637524
H 3.238975 1.765311 -0.128310
H 1.196041 1.182164 2.052475
H 5.788199 0.694609 0.759632
H 5.671284 -1.075781 0.709392
H 2.183549 -1.812429 -1.711076
H 2.477789 -0.060671 -1.713219
H 4.897107 0.846041 -1.587476
H 6.269916 -0.280358 -1.534516
H 4.671914 -2.235841 -1.432447
H 4.358915 -1.245614 -2.876639
H -0.882402 0.377072 1.633561
H -1.963864 -1.714095 -0.191586
H -1.399399 -2.563926 2.428751
H -2.324475 -1.160570 3.072751
H -0.588435 -1.331680 3.446741
H -3.717154 -0.496621 1.534684
H -0.704817 3.235282 0.150087
H -2.786336 1.741813 1.066784
H -4.483100 1.572963 0.548101
H -3.718420 1.275366 -1.847920
H -2.030701 1.392788 -1.329738
H -2.545952 3.813670 -0.483620
H -2.805467 3.613356 -2.242799
H -4.192837 3.629672 -1.112531
H -6.197596 -1.043152 -0.931279


