%chk=000050934.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050934

0 1
 O   -1.150100     -0.9993000      0.6711000    
 O   -1.586800      -2.054700      -1.353100    
 O   0.5387000      -3.557100      -1.031400    
 O   0.9809000      -2.527100      0.9628000    
 N   -2.274800     -0.2131000      0.4885000    
 N   -3.549000       1.491600     -0.1457000    
 C    1.956300       2.420800     -0.8116000    
 C   0.8086000       3.293300     -0.2942000    
 C    2.629000       1.587000      0.2806000    
 C  -0.3924000       2.540800      0.2871000    
 C    3.822300      0.8061000     -0.2745000    
 C   -1.103200       1.647200     -0.7338000    
 C    4.476100     -5.2900001E-02  0.8075000    
 C   -2.329800       1.000200     -0.1391000    
 C    5.641100     -0.8568000      0.2524000    
 C   -3.539500     -0.5147000      0.9090000    
 C   -4.307900      0.5524000      0.5066000    
 C  -0.9328000      -1.881200     -0.3426000    
 C   0.3133000      -2.682200     -3.9700001E-02
 H    1.603700       1.768200      -1.617900    
 H    2.706300       3.083900      -1.261500    
 H    1.198500       3.971800      0.4749000    
 H   0.4600000       3.930200      -1.116800    
 H    1.907700      0.8808000      0.7075000    
 H    2.963900       2.242900       1.093100    
 H   -1.105200       3.282500      0.6712000    
 H  -8.1699997E-02   1.947600       1.155400    
 H    4.560900       1.504100     -0.6871000    
 H    3.487700      0.1644000      -1.099000    
 H   -1.415000       2.249000      -1.596100    
 H  -0.4260000      0.8766000      -1.115600    
 H    4.834000      0.5853000       1.623700    
 H    3.737100     -0.7414000       1.233900    
 H    5.308700      -1.530900     -0.5434000    
 H    6.413600     -0.1972000     -0.1557000    
 H    6.094600      -1.462500       1.043200    
 H   -3.771800      -1.427900       1.438200    
 H   -5.369000      0.6917000      0.6531000    
 H  -0.1099000      -3.541800      -1.767600    


%chk=000050934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050934

0 1
O -1.101170 -0.828370 0.741849
O -1.375390 -2.037899 -1.275411
O 0.988602 -3.349211 -0.833408
O 1.349080 -2.082485 1.068257
N -2.334979 -0.126550 0.446080
N -3.734380 1.437292 -0.267997
C 1.919469 2.410060 -0.800013
C 0.793545 3.322419 -0.248441
C 2.598113 1.519670 0.267030
C -0.445315 2.580110 0.311397
C 3.760965 0.672338 -0.298602
C -1.258427 1.840947 -0.791350
C 4.445497 -0.211660 0.768724
C -2.432029 1.087521 -0.246825
C 5.599993 -1.061582 0.195675
C -3.598292 -0.562428 0.875590
C -4.453573 0.434388 0.415770
C -0.728391 -1.749803 -0.252294
C 0.643542 -2.387314 0.099398
H 1.529176 1.770673 -1.619733
H 2.693229 3.052871 -1.267833
H 1.217022 3.953324 0.559252
H 0.462336 4.018975 -1.046351
H 1.857246 0.839505 0.734091
H 2.981297 2.165424 1.085062
H -1.119104 3.306507 0.804684
H -0.135106 1.858665 1.090998
H 4.515327 1.343476 -0.761608
H 3.381166 0.024421 -1.117785
H -1.654301 2.574818 -1.514797
H -0.594070 1.156744 -1.353495
H 4.830104 0.436214 1.583260
H 3.687494 -0.877303 1.227157
H 5.233330 -1.744917 -0.593680
H 6.384887 -0.421509 -0.251015
H 6.073685 -1.679849 0.980313
H -3.738737 -1.481400 1.435568
H -5.532700 0.499610 0.527780
H 0.288962 -3.426091 -1.543896


