%chk=000012922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012922

0 1
 O   3.5000001E-03   1.784000     -0.7710000    
 O   -2.287100      -1.921200      0.8644000    
 O    2.287400      -1.933000      0.8506000    
 N   -1.193700     -7.4800000E-02 -5.6100000E-02
 N    1.194400     -7.6099999E-02 -5.0299998E-02
 C   -2.423900      0.6703000     -0.1734000    
 C    2.423500      0.6712000     -0.1650000    
 C   -3.368700      2.0000001E-03  -1.175600    
 C   -3.087300      0.8296000       1.196700    
 C    3.095000      0.8229000       1.202400    
 C    3.362000      8.1000002E-03  -1.176000    
 C   -4.698900      0.7442000      -1.275000    
 C   -4.418700       1.569300       1.094600    
 C    4.425200       1.564100       1.096100    
 C    4.692700      0.7490000      -1.278400    
 C   -5.357500      0.9037000      9.2399999E-02
 C    5.358500      0.9026000      8.6099997E-02
 C   1.1000000E-03  0.6249000     -0.3417000    
 C  -2.0999999E-03  -2.183000      0.2598000    
 C   -1.271600      -1.390100      0.4124000    
 C    1.270900      -1.394700      0.4095000    
 C  -4.9000001E-03  -2.872900      -1.102400    
 H   -2.224800       1.680500     -0.5507000    
 H    2.224100       1.684000     -0.5350000    
 H   -3.584800      -1.039200     -0.9155000    
 H   -2.896100     -2.6000001E-02  -2.165600    
 H   -2.418200       1.386100       1.865300    
 H   -3.288600     -0.1190000       1.699300    
 H    3.298600     -0.1298000       1.696600    
 H    2.429500       1.374800       1.878300    
 H    2.884300     -1.3900000E-02  -2.163700    
 H    3.578900      -1.034800     -0.9232000    
 H   -5.373600      0.2048000      -1.949200    
 H   -4.532000       1.734300      -1.717000    
 H   -4.236200       2.607000      0.7887000    
 H   -4.897200       1.608400       2.079800    
 H    4.909200       1.599100       2.078900    
 H    4.240700       2.603000      0.7957000    
 H    4.524800       1.741100      -1.715600    
 H    5.363500      0.2118000      -1.958300    
 H   -6.273000       1.497700     -6.2000002E-03
 H   -5.654700     -8.2199998E-02  0.4708000    
 H    6.273700       1.496800     -1.4800000E-02
 H    5.657500     -8.4899999E-02  0.4587000    
 H  -2.4999999E-03  -2.941000       1.053800    
 H  -3.4000000E-03  -2.145700      -1.922500    
 H   0.8802000      -3.507100      -1.222100    
 H  -0.8937000      -3.502200      -1.220900    


%chk=000012922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012922

0 1
O -0.000376 1.674156 -0.631584
O -2.367416 -2.131960 0.714823
O 2.366484 -2.132611 0.713262
N -1.224535 -0.220237 -0.011364
N 1.223744 -0.220774 -0.012757
C -2.494869 0.592762 -0.126570
C 2.494389 0.591523 -0.129527
C -3.469801 -0.002613 -1.170290
C -3.165175 0.804657 1.253099
C 3.165690 0.804311 1.249517
C 3.468290 -0.005486 -1.173247
C -4.710648 0.914981 -1.309013
C -4.410348 1.712744 1.097065
C 4.411378 1.711418 1.091855
C 4.709626 0.911198 -1.313648
C -5.401972 1.136928 0.057682
C 5.401975 1.133993 0.052391
C -0.000381 0.470836 -0.255013
C -0.000670 -2.375353 0.250381
C -1.289925 -1.576724 0.366736
C 1.288909 -1.577140 0.365824
C -0.001299 -3.154665 -1.105920
H -2.152330 1.575227 -0.497466
H 2.152140 1.573817 -0.501144
H -3.789760 -1.010992 -0.853982
H -2.954460 -0.099562 -2.145659
H -2.439798 1.266423 1.950581
H -3.465080 -0.171758 1.673242
H 3.465189 -0.171913 1.670391
H 2.441060 1.267243 1.946998
H 2.952275 -0.103088 -2.148195
H 3.787834 -1.013760 -0.856160
H -5.420578 0.467836 -2.030857
H -4.403563 1.896331 -1.726779
H -4.093280 2.726866 0.776428
H -4.907112 1.828817 2.079260
H 4.908833 1.828070 2.073633
H 4.094782 2.725455 0.770479
H 4.402869 1.892350 -1.732118
H 5.418794 0.462938 -2.035546
H -6.267099 1.817578 -0.060023
H -5.798680 0.169584 0.427783
H 6.267453 1.813989 -0.066492
H 5.798316 0.166750 0.423149
H -0.000503 -3.120480 1.063638
H -0.001505 -2.463110 -1.967506
H 0.897174 -3.791589 -1.161176
H -0.900041 -3.791267 -1.160482


