%chk=000080579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080579

0 1
 O    1.733100      -1.444900      0.4242000    
 O   -3.865500       1.891300      0.6490000    
 N   -3.632700     -0.2504000     -0.3090000    
 C   -2.283100     -0.5510000     -0.1238000    
 C   0.4163000      -1.151700      0.2442000    
 C   -1.445600      0.3638000      0.5147000    
 C   -1.770700      -1.766300     -0.5781000    
 C  -9.5899999E-02  6.3600004E-02  0.6985000    
 C  -0.4211000      -2.066600     -0.3940000    
 C    2.658200     -0.4551000      0.1370000    
 C    2.522600      0.2760000      -1.029100    
 C    3.694500     -0.2248000       1.023400    
 C    3.455400       1.271900      -1.318600    
 C    4.627200      0.7712000      0.7341000    
 C   -4.321700      0.9081000      7.4400000E-02
 C    4.507700       1.519700     -0.4370000    
 C   -5.778700      0.8452000     -0.3098000    
 H   -1.770500       1.320900      0.8982000    
 H   -2.411500      -2.488600      -1.077600    
 H   0.5285000      0.7844000       1.220200    
 H  -2.7500000E-02  -3.014600     -0.7502000    
 H   -4.176500     -0.9688000     -0.7827000    
 H    1.726600      8.6499996E-02  -1.743200    
 H    3.788700     -0.8065000       1.935300    
 H    3.365800       1.851000      -2.233100    
 H    5.446600      0.9637000       1.420400    
 H    5.234500       2.294200     -0.6630000    
 H   -5.870900      0.7701000      -1.396900    
 H   -6.290900       1.750000      2.9100001E-02
 H   -6.248900     -2.4200000E-02  0.1581000    


%chk=000080579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080579

0 1
O 1.718211 -1.222153 0.468160
O -4.157000 1.943768 0.249159
N -3.831910 -0.329834 -0.242909
C -2.424252 -0.473818 -0.063175
C 0.354961 -0.902498 0.243353
C -1.578325 0.596147 0.336419
C -1.860731 -1.757739 -0.295595
C -0.194591 0.375763 0.492181
C -0.478489 -1.973230 -0.146192
C 2.750652 -0.301584 0.154051
C 2.662619 0.630186 -0.907055
C 3.934365 -0.430060 0.914381
C 3.779209 1.447259 -1.193787
C 5.042261 0.390858 0.612566
C -4.618316 0.814318 -0.092477
C 4.969992 1.335528 -0.438822
C -6.105089 0.606343 -0.377356
H -2.014805 1.578244 0.525492
H -2.504557 -2.593537 -0.598539
H 0.449959 1.198443 0.817040
H -0.034961 -2.957428 -0.321395
H -4.323924 -1.181130 -0.522257
H 1.748608 0.709258 -1.503514
H 3.967857 -1.167435 1.721995
H 3.716471 2.168434 -2.016350
H 5.960858 0.293452 1.201619
H 5.830250 1.972930 -0.668502
H -6.407382 1.270335 -1.205646
H -6.684754 0.909537 0.511261
H -6.373186 -0.432257 -0.639405