%chk=000122105.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122105

0 1
 O  -1.5000000E-03  -1.734300      0.5794000    
 O   8.0000004E-03   3.424900      0.7409000    
 O   -4.680400       2.397700     -0.1144000    
 O    4.692800       2.380300     -0.1135000    
 N   -2.405500       2.249400      9.9299997E-02
 N    2.417500       2.240500      0.1007000    
 C   -1.279700      0.1787000     -1.3200000E-02
 C    1.284000      0.1740000     -1.2500000E-02
 C   -2.559100     -0.4885000     -0.3019000    
 C    2.560800     -0.4978000     -0.3014000    
 C   -1.252700       1.509300      0.1466000    
 C    1.261900       1.504600      0.1474000    
 C   6.9999998E-04 -0.5691000      0.1930000    
 C   -2.521200      -1.956100     -0.6486000    
 C    2.517300      -1.965300     -0.6485000    
 C   5.9000002E-03   2.247400      0.3968000    
 C   -3.711300      0.2236000     -0.3172000    
 C    3.715700      0.2100000     -0.3173000    
 C   -2.646200      -2.821300      0.5967000    
 C    2.639000      -2.831200      0.5964000    
 C   -3.659200       1.712900     -9.8200001E-02
 C    3.669200       1.699200     -9.7599998E-02
 C   -5.090400     -0.3325000     -0.5406000    
 C    5.092500     -0.3511000     -0.5429000    
 C   -2.629400      -4.298000      0.2334000    
 C    2.571400      -4.307400      0.2373000    
 H   -1.612800      -2.202600      -1.212300    
 H   -3.326800      -2.204800      -1.350700    
 H    3.321200      -2.218500      -1.351100    
 H    1.607200      -2.206500      -1.211900    
 H   -2.328500       3.253500      0.2360000    
 H    2.344300       3.244700      0.2377000    
 H   -1.888200      -2.625600       1.356800    
 H   -3.605400      -2.610500       1.087700    
 H    3.612100      -2.646800       1.070100    
 H    1.899700      -2.610100       1.368500    
 H   -5.134100      -1.423300     -0.5035000    
 H   -5.472600     -1.1300000E-02  -1.515000    
 H   -5.776100      2.7200000E-02  0.2346000    
 H    5.132100      -1.442100     -0.5079000    
 H    5.780200      4.4999998E-03  0.2325000    
 H    5.475000     -2.9500000E-02  -1.517000    
 H   -1.677500      -4.574900     -0.2311000    
 H   -3.438200      -4.543500     -0.4623000    
 H   -2.759100      -4.910300       1.131400    
 H    3.358900      -4.577900     -0.4734000    
 H    1.603000      -4.557200     -0.2081000    
 H    2.700400      -4.921600       1.134100    


%chk=000122105-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122105

0 1
O -0.006730 -1.908563 -0.243608
O 0.008711 3.503489 0.482836
O -4.709391 2.515161 0.169028
O 4.721111 2.487925 0.170376
N -2.397576 2.248526 0.188149
N 2.407781 2.234673 0.188699
C -1.303409 0.122331 -0.184989
C 1.301440 0.114880 -0.184969
C -2.615426 -0.497226 -0.370912
C 2.609897 -0.512153 -0.370913
C -1.256084 1.499246 0.076408
C 1.262021 1.491996 0.076631
C -0.003120 -0.633501 -0.221556
C -2.780843 -1.976642 -0.681053
C 2.766779 -1.992304 -0.681987
C 0.005119 2.248454 0.238952
C -3.772984 0.296101 -0.259437
C 3.771987 0.274423 -0.258879
C -2.861041 -2.854909 0.603814
C 2.842333 -2.871876 0.602271
C -3.713209 1.739621 0.043739
C 3.720476 1.718226 0.044526
C -5.169825 -0.248362 -0.450062
C 5.165678 -0.278050 -0.449408
C -3.048944 -4.346859 0.260229
C 3.021998 -4.364628 0.257733
H -1.937023 -2.343689 -1.286439
H -3.707302 -2.125386 -1.264663
H 3.692215 -2.145950 -1.265974
H 1.920722 -2.354034 -1.287452
H -2.290643 3.253623 0.389064
H 2.306597 3.240336 0.389766
H -1.929847 -2.721339 1.182592
H -3.696550 -2.505144 1.242370
H 3.679885 -2.527139 1.240899
H 1.912013 -2.733578 1.181342
H -5.343025 -1.162585 0.144026
H -5.359823 -0.505288 -1.510669
H -5.903025 0.518843 -0.155181
H 5.333104 -1.194029 0.143595
H 5.903251 0.484444 -0.153194
H 5.354778 -0.534670 -1.510260
H -2.194222 -4.723134 -0.331718
H -3.969915 -4.510767 -0.331088
H -3.121987 -4.959939 1.176770
H 3.941809 -4.533183 -0.334085
H 2.164987 -4.735962 -0.334019
H 3.092151 -4.978606 1.173898


