%chk=000039315.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039315

0 1
 O   -2.128500       1.923000     -0.7601000    
 O    2.184200      -2.823400      0.1670000    
 N   -3.760800      7.8999996E-03  0.1658000    
 C   -2.876900     -0.8217000     -0.6223000    
 C   -1.459400     -0.3692000     -0.4855000    
 C    1.172500      0.5021000     -0.2365000    
 C   0.8315000     -0.8597000     -0.1642000    
 C    2.603300      0.6423000     -7.2600000E-02
 C  -0.4628000      -1.324000     -0.2835000    
 C    3.174100     -0.6301000      0.1037000    
 C   -1.141800       1.000700     -0.5615000    
 C    2.079200      -1.622000      5.2499998E-02
 C   0.1804000       1.445400     -0.4370000    
 C   -3.404600     -4.5100000E-02   1.589300    
 C   -5.161300     -0.3959000     -1.1800000E-02
 C    3.415600       1.762400     -6.6399999E-02
 C    4.526500     -0.8352000      0.2870000    
 C   -4.343700      0.8313000       2.395500    
 C   -5.560900     -0.2678000      -1.469300    
 C    4.792300       1.582000      0.1177000    
 C    5.341200      0.2971000      0.2924000    
 H   -3.092500     -0.7643000      -1.695300    
 H   -2.976200      -1.877500     -0.3355000    
 H  -0.6861000      -2.383100     -0.2232000    
 H   0.4129000       2.503800     -0.4971000    
 H   -2.393900      0.3335000       1.772200    
 H   -3.440000      -1.071500       1.977000    
 H   -5.840300      0.2713000      0.5276000    
 H   -5.343900      -1.418500      0.3410000    
 H    3.010600       2.760000     -0.1994000    
 H    4.944300      -1.825700      0.4212000    
 H   -4.478700       1.818600       1.940200    
 H   -5.322600      0.3688000       2.555900    
 H   -3.919200      0.9944000       3.393100    
 H   -5.262300      0.6973000      -1.893000    
 H   -5.152700      -1.071600      -2.089500    
 H   -6.651500     -0.3358000      -1.556700    
 H    5.449600       2.447800      0.1261000    
 H    6.413400      0.1889000      0.4331000    
 H   -2.967100       1.487900     -0.9789000    


%chk=000039315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039315

0 1
O -2.265804 1.648101 -0.458953
O 2.467117 -2.930260 0.297222
N -3.866172 -0.177757 0.249874
C -2.865206 -1.152655 -0.329187
C -1.439609 -0.632328 -0.198884
C 1.195907 0.417709 -0.187523
C 0.962234 -0.985614 -0.025473
C 2.665791 0.651803 -0.144296
C -0.343904 -1.504675 -0.030065
C 3.313763 -0.605973 0.044909
C -1.201707 0.783182 -0.337850
C 2.265893 -1.691131 0.128696
C 0.126343 1.306110 -0.339523
C -3.831389 -0.200289 1.755611
C -5.245101 -0.390537 -0.303171
C 3.426891 1.828280 -0.253154
C 4.709435 -0.708815 0.127298
C -4.388288 1.088278 2.384810
C -5.412239 0.161597 -1.730347
C 4.842522 1.729911 -0.170339
C 5.479431 0.479266 0.017450
H -3.117434 -1.268562 -1.400701
H -2.970301 -2.151616 0.144599
H -0.499252 -2.584288 0.086810
H 0.257986 2.386190 -0.453860
H -2.772580 -0.319513 2.047889
H -4.379655 -1.093702 2.127332
H -5.953846 0.124820 0.367904
H -5.496221 -1.474483 -0.271385
H 2.950219 2.803860 -0.399327
H 5.182362 -1.685712 0.272756
H -3.820366 1.967772 2.034239
H -5.455868 1.246202 2.148906
H -4.296890 1.035120 3.484422
H -5.197719 1.243920 -1.761699
H -4.745498 -0.337780 -2.455131
H -6.450931 0.003631 -2.072113
H 5.451539 2.637273 -0.253281
H 6.572184 0.431715 0.077722
H -3.149739 1.045351 -0.203186


