%chk=000056182.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056182

0 1
 O   0.9447000       1.961300      0.1686000    
 O    2.260400      -1.690800      -1.809700    
 O    4.336300      0.4197000      0.1560000    
 O    1.077700       2.731500       2.332600    
 O   -2.347400      -2.061000       2.545500    
 N   -1.695900       1.845300     -0.8906000    
 N    2.168700     -0.2885000      0.6474000    
 C   -1.237600       2.936900     -4.4199999E-02
 C    1.079600      -1.105400      0.2293000    
 C   -3.132900       1.621100     -0.7145000    
 C   -1.396100       2.119800      -2.298000    
 C   0.2571000       3.157000     -0.2145000    
 C    2.018000      0.5883000       1.801800    
 C    1.168200      -1.784100     -0.9917000    
 C    3.367400     -0.3073000     -6.1500002E-02
 C    3.448000      -1.404300      -1.103800    
 C  -0.1036000      -1.222000      0.9737000    
 C    1.299700       1.877700       1.480200    
 C   -3.469600       1.333900      0.7389000    
 C   -1.807900      0.9563000      -3.184000    
 C   -1.166400      -1.999300      0.5047000    
 C   9.8300003E-02  -2.545300      -1.470500    
 C   -1.066700      -2.658500     -0.7173000    
 C   -2.376900      -2.128900       1.300700    
 C   -3.723200      -2.353500      0.6210000    
 H   -1.769600       3.869800     -0.2699000    
 H   -1.403100       2.706800       1.013100    
 H   -3.729100       2.470200      -1.071200    
 H   -3.451600      0.7339000      -1.271000    
 H   -1.871800       3.044100      -2.648400    
 H  -0.3206000       2.213700      -2.466800    
 H   0.5709000       3.439900      -1.222100    
 H   0.5728000       4.003100      0.4098000    
 H    1.530400      6.9100000E-02   2.630500    
 H    3.016800      0.8741000       2.152400    
 H    3.811900      -2.318100     -0.6177000    
 H    4.198900      -1.107100      -1.844300    
 H  -0.2308000     -0.7059000       1.919900    
 H   -2.763400      0.6379000       1.198100    
 H   -3.498300       2.248400       1.340400    
 H   -4.467100      0.8854000      0.8055000    
 H   -1.452200     -1.1000000E-03  -2.789100    
 H   -2.891400      0.9019000      -3.326900    
 H   -1.369200       1.080100      -4.180800    
 H   0.1707000      -3.055900      -2.427200    
 H   -1.874700      -3.274300      -1.101500    
 H   -3.899200      -3.425400      0.5032000    
 H   -3.756400      -1.853500     -0.3507000    
 H   -4.512800      -1.918800       1.241200    


%chk=000056182-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056182

0 1
O 0.986793 1.865398 -0.164176
O 2.927965 -2.024689 -1.335363
O 4.360677 0.273750 1.117881
O 0.815491 2.920874 1.911427
O -2.883128 -1.431962 1.371401
N -1.969519 2.268356 -0.777577
N 2.128736 -0.386597 0.856907
C -1.030335 3.380530 -0.526243
C 1.178049 -1.250872 0.223204
C -3.213414 2.394767 0.036895
C -2.247758 2.060568 -2.223895
C 0.440433 3.073377 -0.856391
C 1.707205 0.650185 1.810195
C 1.607318 -2.063313 -0.870343
C 3.497419 -0.483639 0.588903
C 3.928450 -1.630268 -0.323944
C -0.175600 -1.300354 0.599315
C 1.117060 1.930773 1.206012
C -3.013093 2.052867 1.525401
C -2.713297 0.628398 -2.550367
C -1.097886 -2.139392 -0.080805
C 0.700554 -2.887727 -1.563395
C -0.649874 -2.928988 -1.172170
C -2.523831 -2.134054 0.377437
C -3.545917 -2.978830 -0.376560
H -1.288701 4.300380 -1.117977
H -1.091054 3.662782 0.535836
H -3.650879 3.421665 -0.064706
H -3.958582 1.695422 -0.382248
H -3.000116 2.800357 -2.601684
H -1.313932 2.254614 -2.784007
H 0.598060 2.828017 -1.918208
H 1.063538 3.943551 -0.576178
H 0.981330 0.248848 2.538003
H 2.604676 0.958277 2.374882
H 4.182368 -2.511524 0.300756
H 4.820216 -1.315902 -0.883854
H -0.579056 -0.681892 1.405850
H -2.715226 0.996696 1.637366
H -2.247142 2.690352 2.003257
H -3.961011 2.202189 2.075944
H -1.947843 -0.097362 -2.225302
H -3.662666 0.378269 -2.042125
H -2.875751 0.515527 -3.638866
H 1.078777 -3.483263 -2.399107
H -1.344404 -3.577088 -1.714454
H -3.268680 -4.049308 -0.367200
H -3.615559 -2.662607 -1.434348
H -4.529863 -2.858958 0.101220


