%chk=000045257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045257

0 1
 O   0.4322000      -1.233900      0.3568000    
 O   0.3054000       1.064600      0.3613000    
 O    6.532300     -0.1169000     -0.1338000    
 N   -3.681700     -0.3259000     -0.1833000    
 C   -5.154500     -0.4178000     -5.4699998E-02
 C   -5.704500      0.8151000      0.6907000    
 C   -3.284700      0.9070000     -0.8862000    
 C   -5.290500       2.117800      1.8600000E-02
 C   -3.781200       2.157000     -0.1634000    
 C   -3.105300      -1.481300     -0.8772000    
 C   -5.605200      -1.674700      0.7034000    
 C   -1.585200      -1.364300     -0.9276000    
 C  -0.9810000      -1.328100      0.4696000    
 C   0.9467000      2.6400000E-02  0.3126000    
 C    2.426200     -1.2100000E-02  0.1934000    
 C    3.121100       1.178500      0.1336000    
 C    3.060700      -1.236700      0.1465000    
 C    4.511100       1.143100      2.2100000E-02
 C    4.450700      -1.272000      3.5200000E-02
 C    5.175900     -8.2199998E-02 -2.7000001E-02
 C    7.211500       1.136500     -0.1907000    
 H   -5.608900     -0.4462000      -1.054900    
 H   -6.799500      0.7699000      0.7342000    
 H   -5.345800      0.8148000       1.728800    
 H   -3.657300      0.9049000      -1.919100    
 H   -2.201300       1.035500     -0.9277000    
 H   -5.782700       2.200500     -0.9581000    
 H   -5.619700       2.972600      0.6194000    
 H   -3.293900       2.235600      0.8169000    
 H   -3.501500       3.051200     -0.7321000    
 H   -3.340400      -2.412600     -0.3514000    
 H   -3.502100      -1.572500      -1.896100    
 H   -6.680100      -1.635700      0.9133000    
 H   -5.434200      -2.585100      0.1208000    
 H   -5.082200      -1.772500       1.661300    
 H   -1.218800     -0.5497000      -1.559500    
 H   -1.198000      -2.261200      -1.431900    
 H   -1.377500     -0.5155000       1.088500    
 H   -1.201700      -2.261900      0.9988000    
 H    2.618600       2.140500      0.1708000    
 H    2.536000      -2.185600      0.1918000    
 H    5.012200       2.104100     -2.1100000E-02
 H    4.963600      -2.229200     -2.3000001E-03
 H    6.930000       1.706700      -1.082500    
 H    7.072400       1.711800      0.7309000    
 H    8.281700      0.9207000     -0.2743000    


%chk=000045257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045257

0 1
O 0.449975 -1.138745 0.445068
O 0.378147 1.127039 -0.122399
O 6.748821 -0.204414 0.105469
N -3.795689 -0.280377 -0.217425
C -5.280438 -0.461305 -0.098613
C -5.883764 0.683158 0.755050
C -3.453714 1.048268 -0.804365
C -5.539938 2.078784 0.197384
C -4.012115 2.208317 0.039499
C -3.142685 -1.389443 -0.966376
C -5.656542 -1.821200 0.529433
C -1.598472 -1.314311 -0.962348
C -1.043280 -1.156246 0.460296
C 1.045827 0.087632 0.128873
C 2.529016 0.004379 0.130259
C 3.270475 1.171074 -0.181300
C 3.224167 -1.201196 0.428074
C 4.678378 1.151060 -0.201297
C 4.626043 -1.234390 0.412213
C 5.358638 -0.059112 0.096350
C 7.563859 0.972581 -0.215059
H -5.745860 -0.403227 -1.121795
H -6.981449 0.545012 0.804370
H -5.488714 0.587512 1.786586
H -3.850068 1.129769 -1.852278
H -2.355712 1.142909 -0.856778
H -6.025475 2.213221 -0.791817
H -5.936663 2.869936 0.861915
H -3.530038 2.188353 1.036074
H -3.742508 3.168439 -0.440795
H -3.440027 -2.341691 -0.493895
H -3.493061 -1.430032 -2.031815
H -6.730308 -1.820731 0.791186
H -5.486908 -2.676221 -0.147692
H -5.076457 -1.984285 1.456809
H -1.237320 -0.478166 -1.585940
H -1.205411 -2.246310 -1.411569
H -1.414152 -0.229713 0.926777
H -1.293145 -2.021013 1.096429
H 2.721886 2.091487 -0.407500
H 2.650633 -2.100011 0.669142
H 5.227752 2.064692 -0.445439
H 5.180189 -2.150227 0.637726
H 7.353810 1.338640 -1.238293
H 7.396470 1.787129 0.515382
H 8.604727 0.624173 -0.151176


