%chk=000027092.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027092

0 1
 O    1.323800      -1.494000      0.1921000    
 O    3.031800      -2.691000     -0.7820000    
 N   -4.895500      0.7032000      0.3491000    
 N    5.655200       3.076600      0.3483000    
 C   -2.936000     -0.7599000      0.5158000    
 C   -3.613400      0.3685000     -0.2598000    
 C   -1.577300      -1.112600     -9.4499998E-02
 C  -0.9121000      -2.267600      0.6599000    
 C   -5.925000     -0.2546000     -5.8400001E-02
 C   -5.297400       2.064100     -1.0600000E-02
 C   0.4578000      -2.614900      9.0099998E-02
 C   -7.251100      4.3000001E-02  0.6206000    
 C   -5.502600       2.197800      -1.510000    
 C    2.588400      -1.668200     -0.2835000    
 C    3.389700     -0.4292000     -0.1180000    
 C    4.718300     -0.3959000     -0.5415000    
 C    2.813700      0.7018000      0.4606000    
 C    5.470900      0.7681000     -0.3864000    
 C    3.566200       1.865800      0.6159000    
 C    4.894800       1.899100      0.1924000    
 H   -2.798300     -0.4608000       1.562800    
 H   -3.555400      -1.663200      0.5188000    
 H   -3.711400      8.2699999E-02  -1.314900    
 H   -2.936300       1.232500     -0.2245000    
 H  -0.9313000     -0.2269000     -7.1999997E-02
 H   -1.705900      -1.392400      -1.147200    
 H   -1.554500      -3.154900      0.6255000    
 H  -0.7981000      -1.980700       1.712600    
 H   -6.057400     -0.3356000      -1.143100    
 H   -5.637200      -1.257600      0.2768000    
 H   -6.191700       2.387000      0.5328000    
 H   -4.518200       2.768300      0.3092000    
 H   0.3603000      -2.911200     -0.9611000    
 H   0.8808000      -3.453300      0.6558000    
 H   -7.129000      0.1979000       1.698200    
 H   -7.757200      0.9136000      0.1928000    
 H   -7.928500     -0.8087000      0.4902000    
 H   -4.620100       1.933400      -2.099100    
 H   -6.362300       1.633600      -1.881900    
 H   -5.713900       3.249400      -1.739300    
 H    5.185500      -1.266200     -0.9949000    
 H    1.783100      0.7202000      0.8037000    
 H    6.505200      0.7817000     -0.7206000    
 H    3.106300       2.740900       1.067900    
 H    5.238600       3.896200      0.7695000    
 H    6.619200       3.100800      4.3299999E-02


%chk=000027092-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027092

0 1
O 1.355490 -1.502069 0.264827
O 3.035265 -2.620822 -0.907686
N -4.957510 0.711792 0.174339
N 5.828953 3.098860 0.477588
C -2.977918 -0.852327 0.420211
C -3.693100 0.220155 -0.431655
C -1.609308 -1.250234 -0.176775
C -0.891533 -2.340926 0.648260
C -6.070792 -0.263515 0.055562
C -5.297756 2.102496 -0.221640
C 0.491561 -2.706242 0.106220
C -7.306428 0.110393 0.895826
C -5.677338 2.332982 -1.712234
C 2.640736 -1.591974 -0.296068
C 3.433519 -0.361853 -0.077329
C 4.752306 -0.300151 -0.604908
C 2.931335 0.758070 0.640353
C 5.548533 0.839430 -0.426057
C 3.719559 1.903579 0.826377
C 5.044388 1.965043 0.295291
H -2.845749 -0.451640 1.444061
H -3.611652 -1.757656 0.512260
H -3.848385 -0.183995 -1.465671
H -3.011674 1.087958 -0.533975
H -0.954639 -0.358756 -0.236825
H -1.746772 -1.611158 -1.218008
H -1.505636 -3.264978 0.660750
H -0.791341 -2.010891 1.700858
H -6.380677 -0.419354 -1.010545
H -5.691019 -1.238844 0.411440
H -6.126142 2.453255 0.421291
H -4.424043 2.734725 0.029534
H 0.463620 -2.982965 -0.964329
H 0.954639 -3.540183 0.665611
H -7.012377 0.295027 1.944434
H -7.813854 1.014234 0.513534
H -8.041104 -0.715510 0.877064
H -4.859345 2.024568 -2.388636
H -6.586031 1.770728 -1.995786
H -5.877855 3.406130 -1.890641
H 5.131805 -1.167556 -1.155537
H 1.918315 0.713401 1.050279
H 6.563924 0.871350 -0.839377
H 3.320278 2.759926 1.383518
H 5.475705 3.900740 0.991913
H 6.772547 3.145560 0.103681


