%chk=000003937.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003937

0 1
O 1.102132 -1.594011 1.191520
O 3.887933 -4.331830 1.542460
O 4.620734 -2.132661 1.363027
O -0.533703 0.053917 -2.978517
O -1.596498 1.959161 -2.246372
N 2.569968 -1.660949 -0.595363
N -0.080554 0.792371 0.229893
N 3.777709 6.134939 1.569215
C 2.974940 -3.042746 -0.273335
C 3.725748 -3.502408 -1.557467
C 3.275391 -1.117515 -1.788919
C 4.352475 -2.188523 -2.090755
C 1.316813 0.470783 -0.128349
C 1.649731 -1.009559 0.197667
C 2.289363 1.392538 0.659697
C -1.117223 0.147171 -0.618105
C 2.175941 2.873282 0.239780
C 3.900649 -3.064729 0.950394
C -2.500464 0.293050 0.056168
C 3.036720 3.805344 1.119886
C -3.639257 -0.425845 -0.715603
C -1.133891 0.850059 -1.982010
C 2.939502 5.285416 0.697524
C -4.986111 -0.247802 -0.028951
C -5.497039 -1.235812 0.851004
C -5.741618 0.937180 -0.227991
C -6.730170 -1.046709 1.516645
C -6.974731 1.130240 0.433505
C -7.473673 0.137972 1.309931
H 2.098105 -3.667448 -0.039054
H 4.468158 -4.289919 -1.350459
H 2.987766 -3.903950 -2.274773
H 2.565523 -1.003728 -2.631956
H 3.724762 -0.132795 -1.572298
H 4.596174 -2.238665 -3.164845
H 5.277624 -1.956436 -1.534895
H 1.448167 0.658336 -1.210358
H 2.068049 1.286261 1.740930
H 3.329699 1.034849 0.522811
H -0.241014 0.535776 1.216963
H -0.907795 -0.932245 -0.797610
H 1.111796 3.172405 0.292582
H 2.481526 2.978834 -0.823497
H -2.434365 -0.129268 1.078060
H -2.731811 1.369351 0.152904
H 4.099892 3.482694 1.077557
H 2.726385 3.726817 2.179721
H -3.690738 -0.016038 -1.743288
H -3.395068 -1.502342 -0.804061
H 1.889101 5.618779 0.803300
H 3.191893 5.363474 -0.390302
H 4.498012 -4.336804 2.329116
H 4.772894 5.888314 1.550427
H 3.632173 7.142070 1.449811
H -4.926566 -2.159250 1.013012
H -5.359688 1.709508 -0.907819
H -0.584625 0.538434 -3.848794
H -7.110846 -1.822017 2.191535
H -7.546655 2.050056 0.265397
H -8.430748 0.285424 1.823004


%chk=000003937-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003937

0 1
O 0.807148 -1.406351 1.133591
O 3.440011 -4.289831 1.748863
O 4.311436 -2.143534 1.548158
O -0.241406 1.040209 -2.971033
O -2.157526 2.164841 -2.309820
N 2.400259 -1.613399 -0.532540
N -0.116891 1.042414 0.039926
N 4.174060 6.072405 1.452895
C 2.698509 -3.005334 -0.146867
C 3.483051 -3.553452 -1.374390
C 3.223507 -1.145318 -1.682335
C 4.230002 -2.302340 -1.904656
C 1.268799 0.607259 -0.212708
C 1.466506 -0.883322 0.174640
C 2.257408 1.473853 0.617314
C -1.167808 0.420949 -0.812911
C 2.319852 2.940058 0.139410
C 3.558826 -3.044410 1.123605
C -2.507190 0.353135 -0.053082
C 3.213060 3.817540 1.043228
C -3.621924 -0.388567 -0.839338
C -1.292051 1.299232 -2.065932
C 3.315207 5.276010 0.552231
C -4.931571 -0.426411 -0.064577
C -5.249623 -1.519774 0.781258
C -5.845451 0.656785 -0.142796
C -6.448491 -1.533594 1.530159
C -7.045426 0.647281 0.602990
C -7.351469 -0.448836 1.443343
H 1.772424 -3.564953 0.060666
H 4.156008 -4.384015 -1.106832
H 2.758356 -3.924298 -2.121252
H 2.583163 -0.984375 -2.571672
H 3.736331 -0.196698 -1.446188
H 4.521446 -2.398490 -2.963566
H 5.142081 -2.124517 -1.308638
H 1.478861 0.749360 -1.287649
H 1.947285 1.432928 1.681307
H 3.267779 1.019509 0.577193
H -0.350916 0.911258 1.035001
H -0.885436 -0.607656 -1.136535
H 1.291124 3.347476 0.109725
H 2.702590 2.969780 -0.903315
H -2.328970 -0.173176 0.904844
H -2.844008 1.379999 0.180825
H 4.233188 3.378732 1.096407
H 2.820795 3.827462 2.078330
H -3.776609 0.125071 -1.806522
H -3.280470 -1.419457 -1.058692
H 2.303977 5.727091 0.557101
H 3.657903 5.269889 -0.513603
H 4.008309 -4.307238 2.566077
H 5.133046 5.717471 1.528621
H 4.152901 7.082117 1.280902
H -4.554371 -2.366087 0.850998
H -5.613229 1.507925 -0.795192
H -0.321885 1.666462 -3.742042
H -6.679138 -2.388329 2.176529
H -7.741836 1.490433 0.527488
H -8.282915 -0.458375 2.020754


