%chk=000054832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054832

0 1
 O   -3.851000      -2.766900      0.1816000    
 O   -2.137300      -2.032700      -1.118600    
 N    4.602200     -1.5400000E-02 -9.2200004E-02
 N  -0.9235000      0.3998000      0.7084000    
 N   -1.502400      0.5666000     -0.3900000    
 C    5.438500       1.168100     -6.7900002E-02
 C    5.216400      -1.309700     -0.3122000    
 C    3.210100      8.9500003E-02  0.1094000    
 C    2.629800       1.337900      0.3338000    
 C    2.413600      -1.055400      8.4299996E-02
 C    5.397300       1.896700      -1.400400    
 C    5.448400      -2.037700       1.001000    
 C    1.253100       1.441500      0.5334000    
 C    1.037000     -0.9518000      0.2837000    
 C   0.4636000      0.2962000      0.5072000    
 C   -2.884800      0.6693000     -0.1892000    
 C   -3.698300     -0.4636000     -0.2104000    
 C   -3.446000       1.926700      3.4400001E-02
 C   -5.072800     -0.3391000     -7.7999998E-03
 C   -4.820400       2.051100      0.2371000    
 C   -5.633800      0.9183000      0.2159000    
 C   -3.139700      -1.789200     -0.4416000    
 H    5.197900       1.837100      0.7661000    
 H    6.480400      0.8762000      0.1196000    
 H    4.656600      -1.927300      -1.023600    
 H    6.193600      -1.172800     -0.7940000    
 H    3.191300       2.264800      0.3668000    
 H    2.800900      -2.053900     -8.4299996E-02
 H    5.729600       1.240400      -2.212300    
 H    4.395600       2.252600      -1.656200    
 H    6.064700       2.764100      -1.375400    
 H    6.086000      -1.445700       1.666600    
 H    4.518200      -2.245500       1.537200    
 H    5.949900      -2.993400      0.8177000    
 H   0.8083000       2.417500      0.7088000    
 H   0.4244000      -1.849100      0.2659000    
 H   -2.821400       2.816300      5.1899999E-02
 H   -5.735500      -1.200300     -3.1500001E-02
 H   -5.257500       3.030200      0.4104000    
 H   -6.704400       1.016000      0.3706000    
 H   -3.468100      -3.655700      2.1299999E-02


%chk=000054832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054832

0 1
O -3.380600 1.473445 2.714265
O -2.192342 2.416082 0.958985
N 4.650982 -0.050412 -0.157826
N -1.006193 -0.165008 0.309965
N -1.737700 -0.279615 -0.776213
C 5.510302 -0.125213 1.043687
C 5.347582 0.071627 -1.457335
C 3.260544 -0.082798 -0.066928
C 2.592289 -0.091306 1.204828
C 2.436633 -0.105790 -1.249093
C 5.771698 1.250360 1.700731
C 5.592225 -1.286330 -2.155850
C 1.195178 -0.123302 1.280122
C 1.043715 -0.132954 -1.163196
C 0.391608 -0.145725 0.106790
C -3.137266 -0.196020 -0.534502
C -3.742566 0.546476 0.532470
C -3.962816 -0.926210 -1.429949
C -5.144842 0.459845 0.719304
C -5.356725 -0.986520 -1.240853
C -5.951015 -0.303927 -0.151995
C -2.985944 1.533636 1.360281
H 5.061533 -0.822106 1.774594
H 6.472813 -0.577353 0.739410
H 4.778826 0.748960 -2.119866
H 6.317657 0.568879 -1.270145
H 3.166317 -0.053547 2.134097
H 2.899922 -0.112016 -2.239612
H 6.269462 1.936675 0.992099
H 4.828405 1.723787 2.023026
H 6.425242 1.137252 2.585353
H 6.198513 -1.953373 -1.516755
H 4.640299 -1.800659 -2.373858
H 6.133605 -1.137892 -3.108418
H 0.686681 -0.121091 2.250048
H 0.425455 -0.148964 -2.066312
H -3.474041 -1.463812 -2.248738
H -5.599269 1.015047 1.545777
H -5.976971 -1.567599 -1.931947
H -7.033534 -0.350498 0.006621
H -2.905165 2.199667 3.202437


