%chk=000034309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034309

0 1
 O    2.041800       1.992600     -0.8541000    
 O   -1.731200      0.3671000      0.7402000    
 O    3.775400       2.204600      0.6419000    
 O  -0.7131000      0.8163000       2.749400    
 N   0.4909000      0.7037000      0.7690000    
 C    1.801000      0.9786000       1.303600    
 C    2.500800     -0.3110000       1.757700    
 C    2.795800      -1.294300      0.6476000    
 C    2.661900       1.786600      0.3415000    
 C    4.007100      -1.226400     -4.0800001E-02
 C    1.856200      -2.268900      0.3114000    
 C  -0.6558000      0.6455000       1.536000    
 C    4.278800      -2.133400      -1.065200    
 C    2.128000      -3.176000     -0.7130000    
 C    3.339200      -3.108100      -1.401200    
 C   -2.995100      0.2768000       1.407600    
 C    2.777400       2.761700      -1.811000    
 C   -4.061100     -3.1800002E-02  0.3978000    
 C   -4.733100       1.006900     -0.2465000    
 C   -4.380200      -1.357500      0.1031000    
 C    1.953300       2.896200      -3.073700    
 C   -5.724100      0.7202000      -1.185300    
 C   -5.371000      -1.644100     -0.8359000    
 C   -6.042900     -0.6052000      -1.480100    
 H    1.657000       1.621000       2.182000    
 H    3.444800     -5.8300000E-02   2.259300    
 H    1.892700     -0.8135000       2.522100    
 H   0.4021000      0.5322000     -0.2283000    
 H    4.750900     -0.4762000      0.2127000    
 H   0.9090000      -2.333900      0.8403000    
 H    5.222200      -2.081300      -1.600500    
 H    1.396500      -3.935000     -0.9745000    
 H    3.551000      -3.814300      -2.198700    
 H   -2.955700     -0.5118000       2.169400    
 H   -3.215500       1.225300       1.912800    
 H    3.721900       2.254700      -2.037900    
 H    2.986900       3.754800      -1.398100    
 H   -4.492100       2.043700     -2.7100001E-02
 H   -3.862200      -2.175500      0.5968000    
 H    2.486800       3.479900      -3.828900    
 H   0.9970000       3.384600      -2.859400    
 H    1.720300       1.909900      -3.488200    
 H   -6.246900       1.529000      -1.687500    
 H   -5.619000      -2.676200      -1.066000    
 H   -6.814200     -0.8285000      -2.211400    


%chk=000034309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034309

0 1
O 1.752680 1.485960 -1.515227
O -1.774547 -1.028786 -0.153448
O 2.701406 2.809533 0.152241
O -1.275171 -0.060235 1.948473
N 0.093969 0.247589 0.073649
C 1.069600 1.082063 0.777287
C 2.025287 0.263454 1.725466
C 2.935935 -0.704361 0.990425
C 1.914378 1.902326 -0.197789
C 4.256576 -0.323179 0.633085
C 2.481895 -1.998393 0.623841
C -1.001032 -0.252111 0.729985
C 5.099223 -1.208693 -0.076315
C 3.321403 -2.885339 -0.087472
C 4.633409 -2.493126 -0.441600
C -3.056175 -1.564561 0.421172
C 2.615490 2.158385 -2.539601
C -4.203864 -0.592961 0.245040
C -4.432802 0.426772 1.205836
C -5.066178 -0.691627 -0.876327
C 2.302922 1.502713 -3.879677
C -5.502352 1.333958 1.041544
C -6.137772 0.214723 -1.040661
C -6.357717 1.230106 -0.080865
H 0.524041 1.792457 1.427565
H 2.618823 1.002739 2.292337
H 1.366420 -0.262564 2.439239
H 0.235411 0.048262 -0.917904
H 4.625421 0.669454 0.919642
H 1.470479 -2.313997 0.905834
H 6.118812 -0.900787 -0.335488
H 2.955941 -3.882608 -0.357982
H 5.287476 -3.183410 -0.986295
H -3.212602 -2.492150 -0.151586
H -2.876793 -1.791626 1.486381
H 3.667809 2.022772 -2.232639
H 2.382661 3.238033 -2.525201
H -3.759098 0.506864 2.066253
H -4.895763 -1.478480 -1.621801
H 2.919370 1.965759 -4.671553
H 1.240624 1.633621 -4.147785
H 2.528844 0.423198 -3.851841
H -5.671438 2.118093 1.788051
H -6.799636 0.128510 -1.909757
H -7.189863 1.932349 -0.205629


