%chk=000061114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061114

0 1
 O    1.787400       1.430100       1.070500    
 O    4.229400     -0.1242000      0.6808000    
 N   -3.017900      -1.050700      0.6054000    
 C  -0.4479000      0.6774000      0.5640000    
 C   -1.504400      0.5736000     -0.5135000    
 C   -1.903700     -0.9367000     -0.3435000    
 C   0.4765000       1.902500      0.5935000    
 C   -1.192800      0.3555000       1.929100    
 C   0.6305000     -0.3281000      0.1774000    
 C   -1.055000       1.101400      -1.877800    
 C   0.6824000       2.584600     -0.7817000    
 C  -0.9407000      -1.871100      -1.117800    
 C   -2.732400     -0.1004000       1.750900    
 C  -0.5370000       2.533800      -1.702200    
 C   0.4726000      -1.499800     -0.6017000    
 C    1.863800      0.1538000      0.5588000    
 C   -4.312500     -0.8147000     -1.2700000E-02
 C    1.621900      -2.233800     -0.8784000    
 C    3.005800     -0.5737000      0.3062000    
 C    2.874000      -1.779400     -0.4073000    
 H   -2.345800       1.234500     -0.2614000    
 H   -2.558800     -0.9723000      -1.232900    
 H   0.1112000       2.651900       1.305200    
 H   -1.192800       1.238400       2.578600    
 H  -0.6635000     -0.4445000       2.461600    
 H   -1.906000       1.100800      -2.569000    
 H  -0.2734000      0.4937000      -2.343100    
 H    1.535100       2.136700      -1.308800    
 H   0.9746000       3.629100     -0.6158000    
 H  -0.9733000      -1.749100      -2.207100    
 H   -1.150600      -2.915500     -0.8632000    
 H   -3.062900     -0.5756000       2.681500    
 H   -3.328600      0.8152000       1.638300    
 H  -0.2692000       2.946600      -2.681600    
 H   -1.331200       3.171700      -1.295500    
 H   -5.102400     -0.8894000      0.7436000    
 H   -4.541600      -1.582200     -0.7616000    
 H   -4.398500      0.1718000     -0.4820000    
 H    1.567400      -3.149300      -1.460000    
 H    3.761800      -2.366400     -0.6348000    
 H    4.115500      0.7248000       1.142500    


%chk=000061114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061114

0 1
O 1.767913 1.406651 1.106816
O 4.104619 -0.500109 0.980351
N -2.675496 -0.976074 0.530003
C -0.507788 0.864707 0.412655
C -1.571181 0.908015 -0.715374
C -2.157807 -0.541049 -0.808462
C 0.502173 2.053267 0.511332
C -1.238543 0.619113 1.784645
C 0.466274 -0.264484 0.103702
C -1.007359 1.463277 -2.039785
C 0.884700 2.677666 -0.847415
C -1.121504 -1.596768 -1.304521
C -2.661711 0.045866 1.593103
C -0.335962 2.835046 -1.789450
C 0.227621 -1.442688 -0.613843
C 1.729015 0.079570 0.597254
C -3.920790 -1.752397 0.455561
C 1.321397 -2.346239 -0.721739
C 2.817660 -0.803396 0.499248
C 2.584405 -2.040453 -0.155826
H -2.396921 1.583647 -0.410374
H -2.995967 -0.510551 -1.544762
H 0.201705 2.813812 1.250699
H -1.316944 1.573249 2.342633
H -0.636207 -0.074642 2.396455
H -1.824694 1.559296 -2.781207
H -0.257285 0.770122 -2.467130
H 1.622243 2.013346 -1.337573
H 1.385897 3.648158 -0.678453
H -0.985933 -1.504858 -2.403246
H -1.545351 -2.603298 -1.125199
H -2.988302 -0.438583 2.533192
H -3.390463 0.877967 1.404315
H -0.000934 3.280466 -2.745183
H -1.075277 3.537660 -1.351862
H -4.142912 -2.203824 1.439936
H -3.809363 -2.576441 -0.272651
H -4.810298 -1.145079 0.146218
H 1.199707 -3.291594 -1.263619
H 3.423131 -2.738148 -0.246447
H 4.103535 0.410777 1.370502


