%chk=000036051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036051

0 1
 O   -1.055200       1.267800     -7.7000000E-02
 O   -1.977700      0.8607000       1.990300    
 N    2.377400      0.7961000     -0.3403000    
 C   -2.930700     -0.2086000      7.1999999E-03
 C    2.607800     -0.5616000     -0.8536000    
 C    3.647400       1.483100     -6.6399999E-02
 C    3.409300      -1.399800      0.1436000    
 C    4.482700      0.7118000      0.9567000    
 C    4.727100     -0.7232000      0.5041000    
 C   -2.141500      -1.318300     -0.7484000    
 C    1.570400       1.569400      -1.283600    
 C   -3.695600      0.6397000      -1.049000    
 C   -1.259700      -2.215200      0.1320000    
 C   0.8268000       2.684000     -0.5547000    
 C   -3.927200     -0.8471000      0.9937000    
 C   -1.952100      0.6910000      0.7770000    
 C  -8.7200001E-02   2.129600      0.5297000    
 C  -0.4761000      -3.218800     -0.7172000    
 C   -4.521700       1.794100     -0.4914000    
 C   0.3759000      -4.134600      0.1473000    
 H    1.648200      -1.059500      -1.019700    
 H    3.132700     -0.5307000      -1.817400    
 H    4.230300       1.610500     -0.9884000    
 H    3.468100       2.482800      0.3437000    
 H    2.816300      -1.551800       1.054500    
 H    3.605300      -2.391500     -0.2794000    
 H    5.442100       1.218900       1.109700    
 H    3.965200      0.7069000       1.924600    
 H    5.235200      -1.286100       1.294800    
 H    5.389900     -0.7238000     -0.3698000    
 H   -2.851900      -1.953100      -1.295000    
 H   -1.502100     -0.8534000      -1.511100    
 H   0.8240000      0.9278000      -1.770300    
 H    2.180800       1.985700      -2.095300    
 H   -4.366000     -1.3800000E-02  -1.622500    
 H   -2.985400       1.057000      -1.774700    
 H  -0.5537000      -1.606200      0.7078000    
 H   -1.878200      -2.765400      0.8489000    
 H   0.2187000       3.220800      -1.293700    
 H    1.517900       3.414300     -0.1214000    
 H   -4.640800      -1.493400      0.4712000    
 H   -4.496700     -9.0800002E-02   1.544100    
 H   -3.418900      -1.450300       1.753300    
 H  -0.6110000       2.962800       1.013200    
 H   0.4754000       1.583000       1.294600    
 H   0.1616000      -2.695100      -1.436100    
 H   -1.174400      -3.831500      -1.299700    
 H   -3.909400       2.480700      0.1003000    
 H   -4.960000       2.366800      -1.315600    
 H   -5.347300       1.437100      0.1304000    
 H   0.9302000      -4.839800     -0.4797000    
 H    1.099100      -3.559800      0.7338000    
 H  -0.2461000      -4.711500      0.8391000    


%chk=000036051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036051

0 1
O -1.146594 1.276643 -0.119864
O -2.000745 0.864283 2.000351
N 2.505229 0.734895 -0.337710
C -3.063376 -0.207367 0.011091
C 2.803342 -0.660536 -0.752285
C 3.753491 1.492481 -0.067806
C 3.599338 -1.404627 0.339003
C 4.589368 0.818892 1.040650
C 4.905528 -0.649080 0.673194
C -2.288326 -1.301499 -0.801048
C 1.604378 1.430745 -1.290370
C -3.852676 0.680164 -1.012729
C -1.314769 -2.184615 0.010811
C 0.824838 2.595212 -0.637237
C -4.020465 -0.856951 1.038126
C -2.050400 0.675756 0.762340
C -0.082449 2.127260 0.499670
C -0.605355 -3.240473 -0.869200
C -4.630733 1.866715 -0.405843
C 0.389895 -4.114116 -0.075732
H 1.843928 -1.177378 -0.942241
H 3.389704 -0.683418 -1.710312
H 4.376304 1.574458 -0.999790
H 3.489306 2.521489 0.237292
H 2.971512 -1.477520 1.248624
H 3.819085 -2.434689 -0.002730
H 5.523374 1.392761 1.196493
H 4.015488 0.848300 1.987188
H 5.443280 -1.149292 1.500748
H 5.577990 -0.670450 -0.209817
H -3.046219 -1.948056 -1.290624
H -1.722438 -0.798718 -1.609934
H 0.867492 0.694915 -1.661719
H 2.161950 1.815045 -2.182042
H -4.556822 0.013448 -1.550673
H -3.133105 1.063055 -1.760762
H -0.547975 -1.546446 0.496408
H -1.853219 -2.704534 0.827874
H 0.219462 3.104919 -1.411240
H 1.524715 3.350439 -0.229001
H -4.767488 -1.477992 0.509599
H -4.550693 -0.096837 1.635136
H -3.471842 -1.495061 1.750669
H -0.571452 2.965993 1.027335
H 0.477012 1.512966 1.226534
H -0.071792 -2.727646 -1.696678
H -1.367750 -3.888280 -1.348667
H -3.958063 2.555649 0.137922
H -5.127555 2.447712 -1.204425
H -5.413132 1.533291 0.298729
H 0.878185 -4.864266 -0.724892
H 1.183330 -3.493825 0.382632
H -0.122888 -4.656115 0.741152


