%chk=000150043.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150043

0 1
 O   -6.616600       1.652500      -1.500000    
 O   -6.980300     -0.5167000      0.5793000    
 O   9.3400002E-02  -2.277200       2.094100    
 O  -0.8705000      -1.926700      0.1532000    
 N   -3.481400      0.1436000     -0.2394000    
 N   0.6351000      0.4843000       1.085800    
 N    4.303700     -0.1194000     -0.8482000    
 N   0.1491000      -2.116800      0.8539000    
 C   -4.911800      0.1920000     -0.5077000    
 C   -3.085900       1.212900      0.6691000    
 C   -1.740900      0.9239000       1.342800    
 C   -5.241100       1.555000      -1.149500    
 C   -5.663800     -3.3799998E-02  0.8179000    
 C   -5.248200     -0.9536000      -1.474500    
 C  -0.5598000      0.8049000      0.3801000    
 C    1.871800      0.2480000      0.4266000    
 C    2.248500      -1.032000      7.4999998E-03
 C    2.712300       1.344200      0.2076000    
 C    3.490500      -1.171800     -0.6348000    
 C    3.936100       1.111500     -0.4427000    
 C    1.423800      -2.151400      0.2147000    
 C    2.359200       2.641500      0.6181000    
 C    3.871200      -2.443700      -1.054200    
 C    4.777000       2.198900     -0.6637000    
 C    1.827600      -3.412200     -0.2141000    
 C    3.053900      -3.558300     -0.8500000    
 C    3.217900       3.711600      0.3853000    
 C    4.429400       3.489400     -0.2570000    
 H   -3.237100     -0.7602000      0.1655000    
 H   -2.977600       2.153400      0.1166000    
 H   -3.786400       1.390900       1.488400    
 H   -1.533300       1.729600       2.060000    
 H   -1.829000      8.8000000E-03   1.942300    
 H   -4.653300       1.708400      -2.062400    
 H   -5.047200       2.392700     -0.4725000    
 H   -5.164400     -0.7872000       1.439100    
 H   -5.766700      0.8857000       1.402900    
 H   -5.038800      -1.932600      -1.026500    
 H   -4.651300     -0.8796000      -2.392100    
 H   -6.299800     -0.9457000      -1.781300    
 H  -0.4312000       1.794800     -7.9000004E-02
 H  -0.7581000      0.1605000     -0.4771000    
 H   0.7417000      0.9069000       2.004500    
 H   -6.747000       2.525200      -1.908800    
 H   -7.399700     -0.6469000       1.446800    
 H    1.425200       2.859600       1.128400    
 H    4.827600      -2.584200      -1.554800    
 H    5.731800       2.050600      -1.165000    
 H    1.203400      -4.289600     -6.2899999E-02
 H    3.378800      -4.537700      -1.188800    
 H    2.943900       4.712400      0.7045000    
 H    5.107000       4.317400     -0.4433000    


%chk=000150043-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150043

0 1
O -6.072098 0.280209 -2.133476
O -7.242626 -0.487596 0.157427
O 0.317448 -1.034996 2.138321
O -1.229560 -2.212408 0.938789
N -3.441593 -0.105525 0.494986
N 0.578329 1.497030 0.818261
N 3.941781 0.100527 -1.356642
N -0.097793 -1.573607 1.037606
C -4.732429 -0.410966 -0.177865
C -3.260411 1.140233 1.265128
C -1.777415 1.305404 1.669898
C -4.734940 0.400120 -1.502694
C -5.969109 -0.024173 0.702917
C -4.757836 -1.923528 -0.489147
C -0.837974 1.295235 0.445275
C 1.702937 0.883510 0.317603
C 1.723203 -0.415109 -0.317073
C 2.967335 1.601014 0.374641
C 2.827975 -0.682186 -1.240828
C 4.048849 1.163585 -0.490343
C 0.766576 -1.485241 -0.156410
C 3.183076 2.744282 1.212038
C 2.759825 -1.834969 -2.103994
C 5.283400 1.899547 -0.488439
C 0.737698 -2.608986 -0.988630
C 1.720457 -2.756617 -2.011306
C 4.401425 3.427411 1.206947
C 5.460525 3.004617 0.341065
H -3.030556 -0.927672 0.956588
H -3.570769 2.001285 0.638993
H -3.874830 1.190393 2.194834
H -1.668351 2.259175 2.226011
H -1.477985 0.494859 2.360632
H -3.951885 -0.005976 -2.172127
H -4.519698 1.468384 -1.292242
H -5.869900 -0.506797 1.692376
H -5.987416 1.079886 0.850600
H -4.854888 -2.509470 0.442943
H -3.819903 -2.219416 -0.994318
H -5.613666 -2.173141 -1.135444
H -1.135141 2.113394 -0.246956
H -0.970468 0.363239 -0.119817
H 0.743932 2.379414 1.306484
H -6.104606 0.785246 -2.980937
H -7.238442 -0.219790 -0.806023
H 2.412427 3.076664 1.919522
H 3.584125 -1.958208 -2.812762
H 6.072122 1.543341 -1.157816
H -0.004092 -3.388579 -0.795750
H 1.689507 -3.631344 -2.667969
H 4.551256 4.282915 1.873915
H 6.410869 3.549181 0.339908


