%chk=000033752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033752

0 1
 O   -1.593600      -1.873100       1.025300    
 N   -3.504300     -0.2215000      2.7100001E-02
 N   4.5299999E-02 -0.1950000      0.9621000    
 C   -2.362500      0.3697000      0.7173000    
 C   -1.280100     -0.6858000      0.9039000    
 C   0.3587000       1.157200       1.450000    
 C   -3.104900     -0.7290000      -1.286300    
 C   -4.583700      0.7570000     -0.1126000    
 C    1.175000      -1.043900      0.6409000    
 C    1.047300       1.987100      0.3994000    
 C   -4.284100      -1.348000      -2.017400    
 C   -5.057800       1.248800       1.244500    
 C   0.9880000      -2.047000     -0.2714000    
 C    2.365900     -0.7943000       1.267900    
 C    2.075800      -2.863600     -0.5804000    
 C    1.944200       2.973100      0.7863000    
 C   0.7751000       1.754400     -0.9416000    
 C    3.453700      -1.611100      0.9590000    
 C    3.308700      -2.646100      3.5000000E-02
 C    1.921100      -3.971000      -1.567800    
 C    2.582300       3.741800     -0.1875000    
 C    1.413000       2.523200      -1.915200    
 C    2.316900       3.516700      -1.538400    
 H   -2.620000      0.6889000       1.732400    
 H   -1.983500       1.228700      0.1548000    
 H  -0.5561000       1.683500       1.739800    
 H   0.9267000       1.092200       2.384200    
 H   -2.672500      6.5099999E-02  -1.909100    
 H   -2.349500      -1.516100      -1.209800    
 H   -4.286200       1.611000     -0.7341000    
 H   -5.465700      0.3031000     -0.5751000    
 H   -4.844300      -2.038100      -1.377200    
 H   -4.968900     -0.5973000      -2.423700    
 H   -3.918800      -1.925900      -2.874200    
 H   -5.243000      0.4191000       1.935300    
 H   -4.352100       1.945900       1.706700    
 H   -6.001900       1.793200       1.128200    
 H   4.8599999E-02  -2.208100     -0.7890000    
 H    2.535800     -2.7600000E-02   2.012000    
 H    2.156700       3.156400       1.835700    
 H   6.2700003E-02   1.006100      -1.274100    
 H    4.412600      -1.445600       1.441700    
 H    4.164100      -3.275000     -0.1973000    
 H    2.639800      -4.775700      -1.379200    
 H   0.9212000      -4.413900      -1.507100    
 H    2.078500      -3.593400      -2.583000    
 H    3.285500       4.515700      0.1061000    
 H    1.202600       2.351600      -2.966900    
 H    2.812700       4.115900      -2.296500    


%chk=000033752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033752

0 1
O -1.491175 -1.761852 -0.011522
N -3.591273 0.111431 -0.150100
N 0.077247 -0.206777 0.751653
C -2.277377 0.555383 0.325851
C -1.218264 -0.577797 0.332076
C 0.441977 1.177720 1.131730
C -3.624593 -0.215721 -1.601150
C -4.689221 1.015883 0.276970
C 1.139285 -1.199030 0.787015
C 1.122324 1.991256 0.024471
C -4.702770 -1.260929 -1.942407
C -5.046246 0.878232 1.770288
C 1.423780 -1.989226 -0.349041
C 1.901083 -1.366894 1.969378
C 2.463608 -2.951048 -0.326874
C 1.930145 3.100049 0.381567
C 0.938765 1.692692 -1.346851
C 2.947938 -2.311725 1.996064
C 3.229482 -3.098982 0.856590
C 2.738448 -3.806633 -1.551682
C 2.532717 3.903844 -0.611218
C 1.542968 2.493127 -2.342788
C 2.339074 3.603215 -1.979723
H -2.394929 0.917897 1.365041
H -1.872683 1.420937 -0.264807
H -0.461878 1.710935 1.472495
H 1.115201 1.136939 2.006492
H -3.769462 0.707190 -2.219972
H -2.643885 -0.642534 -1.869527
H -4.459956 2.087609 0.038561
H -5.581295 0.750957 -0.318066
H -4.506096 -2.183786 -1.371717
H -5.721090 -0.908926 -1.694406
H -4.684453 -1.496062 -3.023339
H -5.303578 -0.170028 1.999424
H -4.212343 1.175533 2.432808
H -5.910497 1.521820 2.020042
H 0.816847 -1.868762 -1.251634
H 1.664270 -0.786332 2.867996
H 2.093026 3.334382 1.441743
H 0.335695 0.825000 -1.636783
H 3.536507 -2.442880 2.910906
H 4.041696 -3.834824 0.887029
H 3.648516 -4.417181 -1.422429
H 1.895537 -4.495275 -1.750670
H 2.871308 -3.185752 -2.456931
H 3.156513 4.756153 -0.319079
H 1.395254 2.247923 -3.400631
H 2.808852 4.222149 -2.752145


