%chk=000030289.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030289

0 1
 O  -0.1124000     -0.7480000     -0.7514000    
 O  -0.4272000       1.742600      -1.600500    
 O   -1.620400      -3.743500     -0.8902000    
 O  -0.8384000      -3.426700       1.136500    
 N    3.379800     -0.6806000      0.4139000    
 N   -1.484900      -3.036000      0.1359000    
 C    2.269600     -0.8159000     -0.5174000    
 C    4.583200      -1.325700     -0.1170000    
 C    3.647400      0.7310000      0.6995000    
 C   0.9421000     -0.6245000      0.1987000    
 C   -1.387600     -0.6230000     -0.2792000    
 C   -1.992800      0.6332000     -0.2411000    
 C    5.041600     -0.6589000      -1.402900    
 C    4.759400      0.8827000       1.723600    
 C   -1.596900       3.190000     -6.8499997E-02
 C   -1.267900       1.850700     -0.7106000    
 C   -2.084400      -1.746600      0.1656000    
 C  -0.4009000       4.142000     -7.2899997E-02
 C   -3.294600      0.7659000      0.2418000    
 C   -3.386300      -1.613800      0.6485000    
 C   -3.991400     -0.3575000      0.6866000    
 C  -0.7371000       5.462400      0.6011000    
 H    2.327800     -0.1167000      -1.361800    
 H    2.248600      -1.820200     -0.9624000    
 H    5.395100      -1.351500      0.6173000    
 H    4.366900      -2.383000     -0.3187000    
 H    3.855900       1.335900     -0.1901000    
 H    2.760100       1.182000       1.158000    
 H   0.8742000      0.3646000      0.6631000    
 H   0.8302000      -1.376200      0.9881000    
 H    4.282400     -0.6539000      -2.189700    
 H    5.410800      0.3598000      -1.256000    
 H    5.888600      -1.227900      -1.805800    
 H    4.604100      0.2306000       2.590200    
 H    5.749400      0.6829000       1.302900    
 H    4.778500       1.914200       2.093300    
 H   -2.434900       3.632800     -0.6183000    
 H   -1.904900       3.027900      0.9706000    
 H   0.4482000       3.674600      0.4402000    
 H  -7.9599999E-02   4.335800      -1.103100    
 H   -3.799500       1.727300      0.2688000    
 H   -3.942200      -2.480400      0.9979000    
 H   -5.006500     -0.2551000       1.059100    
 H   -1.025100       5.307700       1.645800    
 H   -1.562400       5.965700      8.7600000E-02
 H   0.1311000       6.128700      0.5835000    


%chk=000030289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030289

0 1
O -0.080619 -0.694502 -0.574379
O 0.314986 1.891736 0.593628
O -2.720738 -3.758769 -0.929630
O -0.589852 -3.406341 -0.199398
N 3.579759 -0.655972 0.178220
N -1.806417 -3.022537 -0.383560
C 2.351622 -0.627471 -0.646738
C 4.705089 -1.433978 -0.388555
C 3.920485 0.657859 0.779463
C 1.154347 -0.942765 0.258090
C -1.306176 -0.573663 0.051501
C -1.798283 0.703118 0.497999
C 5.398959 -0.814542 -1.633256
C 4.821429 0.539997 2.023143
C -1.639656 3.283599 0.182656
C -0.937954 1.943470 0.441377
C -2.213137 -1.678476 0.085906
C -0.664411 4.436679 -0.126598
C -3.134454 0.806686 0.965895
C -3.542020 -1.553535 0.544129
C -3.998574 -0.307062 1.006716
C -1.401624 5.774494 -0.343751
H 2.181703 0.356176 -1.135320
H 2.415199 -1.386857 -1.446924
H 5.456171 -1.592321 0.407677
H 4.317213 -2.436975 -0.649382
H 4.400782 1.341604 0.035553
H 2.969068 1.142274 1.066999
H 1.131683 -0.261603 1.123995
H 1.143996 -1.998578 0.572293
H 4.679136 -0.668488 -2.459802
H 5.855145 0.164551 -1.399414
H 6.201917 -1.483163 -1.996177
H 4.356550 -0.130102 2.767898
H 5.821619 0.139310 1.776911
H 4.966214 1.534655 2.484000
H -2.369849 3.154016 -0.641477
H -2.244416 3.547014 1.077602
H 0.063747 4.527623 0.699884
H -0.071468 4.177914 -1.024007
H -3.505443 1.777497 1.308977
H -4.190288 -2.434109 0.523904
H -5.019803 -0.200826 1.383710
H -1.971463 6.070448 0.557712
H -2.115572 5.710404 -1.186706
H -0.687904 6.586911 -0.570265


