%chk=000206341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206341

0 1
O -2.928968 -3.081992 -1.192136
O -3.530813 -0.400430 -0.228563
O -6.817803 1.572948 -1.819052
N 0.397811 -1.795928 -0.337204
N 3.111231 -0.775166 -0.398604
C 1.487178 -2.433136 0.474563
C 0.983175 -1.214660 -1.590682
C 2.534045 -1.365005 0.849894
C 2.029129 -0.145059 -1.218633
C -0.678815 -2.784639 -0.651586
C -1.994400 -2.022760 -0.912256
C 4.332894 -0.044971 -0.266565
C -2.452071 -1.221062 0.314925
C 5.230038 -0.334462 0.785139
C 4.723231 0.887646 -1.250995
C 6.483215 0.281008 0.851041
C 6.867162 1.213968 -0.137814
C 5.974201 1.497755 -1.178304
C 7.408277 -0.056951 1.977660
C -4.225760 0.420605 0.636663
C 8.199245 1.891271 -0.088474
C -5.300728 1.109809 0.023192
C -5.595902 0.913916 -1.449776
C -3.923526 0.577761 1.993129
C -6.083102 1.939605 0.825453
C -4.721391 1.432417 2.763087
C -4.452327 1.406566 -2.332837
C -5.797788 2.107111 2.187733
H 1.984982 -3.274411 -0.056584
H 1.038754 -2.844244 1.404298
H 1.450729 -1.983741 -2.244948
H 0.165984 -0.737751 -2.172916
H 3.347365 -1.845841 1.440621
H 2.069702 -0.586287 1.495277
H 1.539851 0.695462 -0.677611
H 2.469938 0.271905 -2.153053
H -0.463824 -3.436501 -1.527492
H -0.829893 -3.479497 0.204458
H -1.938667 -1.365421 -1.809324
H -1.651763 -0.561096 0.698019
H -2.853188 -1.865396 1.113834
H 4.954437 -1.059756 1.548670
H 4.061959 1.126125 -2.080821
H -3.837530 -2.715105 -1.264108
H 6.258188 2.212229 -1.951315
H 6.982900 -0.791476 2.672405
H 7.661092 0.837362 2.564815
H 8.351995 -0.476937 1.600653
H 8.319002 2.468373 0.838804
H 8.346241 2.588553 -0.922826
H 9.018797 1.160439 -0.131630
H -5.846889 -0.156687 -1.651050
H -3.091702 0.056700 2.454428
H -6.940531 2.453888 0.384871
H -4.496499 1.564411 3.821314
H -3.543037 0.813481 -2.155184
H -4.195715 2.452018 -2.132725
H -4.711644 1.319827 -3.394112
H -6.421368 2.760651 2.792727
H -6.695801 2.540158 -1.873791


%chk=000206341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206341

0 1
O -2.900102 -2.902088 -1.155810
O -3.649781 -0.302646 -0.359338
O -7.562829 0.757161 -1.608322
N 0.503158 -1.646258 -0.231254
N 3.227593 -0.642866 -0.213609
C 1.542216 -2.267544 0.629210
C 1.137938 -1.113899 -1.463885
C 2.614612 -1.231374 0.999625
C 2.222588 -0.073752 -1.128793
C -0.619709 -2.574037 -0.513580
C -1.909378 -1.841898 -0.925445
C 4.504924 -0.021624 -0.119423
C -2.389445 -0.874631 0.159659
C 5.551377 -0.623209 0.641543
C 4.808478 1.188012 -0.806094
C 6.842036 -0.059473 0.727699
C 7.137966 1.152305 0.028370
C 6.103230 1.745123 -0.729577
C 7.915626 -0.753305 1.549232
C -4.382737 0.568812 0.476002
C 8.517751 1.782638 0.093690
C -5.645773 0.990912 -0.030586
C -6.120790 0.523372 -1.410850
C -3.918494 1.002546 1.739243
C -6.434013 1.837204 0.777341
C -4.721413 1.868052 2.517256
C -5.308682 1.164741 -2.558071
C -5.981945 2.284675 2.041689
H 2.034222 -3.133583 0.118738
H 1.062641 -2.639034 1.553662
H 1.601061 -1.939904 -2.060903
H 0.368880 -0.631218 -2.093531
H 3.388122 -1.716988 1.614261
H 2.140684 -0.432718 1.617248
H 1.738011 0.833087 -0.693940
H 2.717367 0.220171 -2.070795
H -0.376162 -3.314518 -1.312441
H -0.841335 -3.151566 0.403400
H -1.756617 -1.264264 -1.862736
H -1.637119 -0.083343 0.333693
H -2.591375 -1.419403 1.103920
H 5.369343 -1.572497 1.157698
H 4.041844 1.714558 -1.381731
H -3.781018 -2.461546 -1.277125
H 6.307570 2.679200 -1.267942
H 7.531165 -1.673422 2.021743
H 8.299435 -0.094810 2.352579
H 8.787381 -1.031414 0.925766
H 8.814437 2.019385 1.134379
H 8.552764 2.721044 -0.486381
H 9.298338 1.109152 -0.311914
H -6.023909 -0.575600 -1.468066
H -2.947185 0.677764 2.123035
H -7.431316 2.116215 0.422192
H -4.359164 2.204045 3.495143
H -4.237935 0.922069 -2.456602
H -5.413497 2.267171 -2.538839
H -5.670348 0.789340 -3.531686
H -6.614003 2.940088 2.649967
H -7.695383 1.703190 -1.874015


