%chk=000055712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055712

1 1
 O    1.863200      0.1622000       1.694100    
 O  -0.6938000     -0.5452000      0.8993000    
 N    3.872500      0.7612000     -0.2082000    
 C    2.819600     -0.2531000     -0.4647000    
 C    5.134700      0.4556000      -1.026300    
 C    1.544600      7.5800002E-02  0.3043000    
 C    3.382800       2.164200     -0.5926000    
 C    4.259500      0.7811000       1.276800    
 C   0.4216000     -0.9378000      0.1049000    
 C    5.703300     -0.8936000     -0.7329000    
 C   -1.933800     -0.8667000      0.4252000    
 C    6.945400      -1.097800     -0.2807000    
 C   -2.889400      0.1243000      0.1472000    
 C   -4.161000     -0.2586000     -0.3420000    
 C   -2.227800      -2.215700      0.2241000    
 C   -2.611000       1.486700      0.3438000    
 C   -4.439600      -1.621000     -0.5389000    
 C   -3.478200      -2.592200     -0.2573000    
 C   -5.116700      0.7321000     -0.6202000    
 C   -3.572500       2.457600      6.2399998E-02
 C   -4.823100       2.081100     -0.4186000    
 H    3.185700      -1.230800     -0.1339000    
 H    2.626700     -0.2903000      -1.543500    
 H    4.848200      0.5105000      -2.083600    
 H    5.858100       1.257100     -0.8323000    
 H    1.140400       1.049800      1.1000000E-02
 H    2.622500       2.505700      0.1136000    
 H    4.237500       2.846800     -0.5449000    
 H    2.989000       2.124200      -1.612400    
 H    3.611300       1.460900       1.835800    
 H    4.272400     -0.2384000       1.674200    
 H    5.268900       1.202000       1.354000    
 H   0.7463000      -1.927600      0.4460000    
 H   0.1569000     -0.9928000     -0.9586000    
 H    5.106900      -1.770800     -0.9674000    
 H    1.039900      0.3658000       2.169900    
 H    7.314000      -2.105200     -0.1217000    
 H    7.611500     -0.2711000     -6.0300000E-02
 H   -1.495100      -2.986400      0.4477000    
 H   -1.643700       1.814800      0.7180000    
 H   -5.410500      -1.938200     -0.9137000    
 H   -3.707300      -3.642600     -0.4117000    
 H   -6.100700      0.4608000     -0.9970000    
 H   -3.344600       3.507900      0.2189000    
 H   -5.571200       2.837400     -0.6375000    


%chk=000055712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055712

1 1
O 1.469272 1.053175 0.980282
O -0.722906 0.135143 -0.283346
N 4.172948 0.748171 -0.106540
C 2.994677 -0.195220 -0.448912
C 5.480443 0.190652 -0.770832
C 1.601325 0.441241 -0.341984
C 3.934441 2.153694 -0.653602
C 4.368882 0.826639 1.411540
C 0.500822 -0.620030 -0.541148
C 5.809459 -1.233772 -0.400310
C -1.964107 -0.565816 -0.302411
C 6.912393 -1.574683 0.312621
C -3.118742 0.250233 -0.039822
C -4.412605 -0.400733 -0.025088
C -2.065178 -1.935197 -0.552813
C -3.037799 1.660114 0.200677
C -4.501802 -1.810819 -0.278650
C -3.354407 -2.556718 -0.539866
C -5.577508 0.391448 0.241597
C -4.194190 2.401894 0.456812
C -5.473761 1.763339 0.480222
H 3.082000 -1.055119 0.235053
H 3.150861 -0.540866 -1.486377
H 5.322676 0.299322 -1.859858
H 6.286942 0.875965 -0.459492
H 1.461590 1.214106 -1.126645
H 3.091761 2.605358 -0.111103
H 4.846270 2.748724 -0.491462
H 3.717111 2.096214 -1.731533
H 3.411115 1.125528 1.858957
H 4.677737 -0.163984 1.776707
H 5.158867 1.565202 1.620718
H 0.607986 -1.445704 0.192601
H 0.507416 -1.030607 -1.571186
H 5.164368 -2.024820 -0.804317
H 0.495535 1.189609 1.140439
H 7.160516 -2.622887 0.508498
H 7.611455 -0.824616 0.703640
H -1.185064 -2.550857 -0.761166
H -2.062084 2.153506 0.168621
H -5.485384 -2.292350 -0.266599
H -3.425839 -3.630995 -0.736981
H -6.556746 -0.100307 0.253662
H -4.125852 3.479941 0.637272
H -6.371491 2.356583 0.682425


