%chk=000228575.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228575

0 1
O 2.956823 0.857604 0.181016
O -2.956555 -0.857582 0.185106
O 3.295003 -0.217095 -1.808585
O -3.297306 0.216661 -1.804311
N 5.102207 0.328222 -0.401207
N -5.102670 -0.328153 -0.394389
C 5.588276 0.120659 0.991507
C 5.929447 -0.875260 -0.101312
C -5.929400 0.875463 -0.093625
C -5.586866 -0.120283 0.998929
C 3.730139 0.230367 -0.775548
C -3.731090 -0.230503 -0.770577
C 0.749343 -0.151605 -0.101077
C -0.749420 0.151569 -0.099708
C 1.563192 1.138338 -0.157059
C -1.563355 -1.138364 -0.154684
H 6.332536 0.848824 1.335372
H 4.888339 -0.143362 1.789060
H 5.486408 -1.874211 -0.105782
H 6.923510 -0.876538 -0.565807
H -6.924078 0.876748 -0.556799
H -5.486274 1.874371 -0.098865
H -4.885845 0.143830 1.795501
H -6.330730 -0.848316 1.343925
H 1.018933 -0.790788 -0.971454
H 1.032553 -0.731944 0.799532
H -1.031043 0.731583 0.801600
H -1.020530 0.791002 -0.969418
H 1.301500 1.859446 0.639067
H 1.528591 1.621344 -1.149287
H -1.529954 -1.621374 -1.146953
H -1.300684 -1.859453 0.641129


%chk=000228575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228575

0 1
O 3.044724 0.825492 0.601750
O -3.043727 -0.825278 0.605761
O 3.167343 0.626110 -1.745471
O -3.169611 -0.626128 -1.741303
N 5.075518 0.446281 -0.375451
N -5.075882 -0.446254 -0.368645
C 5.768103 -0.457022 0.567957
C 5.975033 -0.569958 -0.954947
C -5.976383 0.569714 -0.947072
C -5.767282 0.457118 0.575562
C 3.715422 0.605050 -0.614921
C -3.716099 -0.604862 -0.609988
C 0.757870 -0.158221 0.451950
C -0.757073 0.158438 0.453016
C 1.592296 1.129913 0.479117
C -1.591466 -1.129696 0.481141
H 6.544276 0.002681 1.187585
H 5.171228 -1.232216 1.062383
H 5.513652 -1.417269 -1.476246
H 6.895772 -0.188702 -1.406721
H -6.897696 0.188209 -1.397465
H -5.515884 1.416997 -1.469197
H -5.169834 1.232510 1.068984
H -6.542503 -0.002586 1.196381
H 1.021859 -0.738052 -0.452440
H 1.016748 -0.773670 1.336100
H -1.014733 0.773762 1.337608
H -1.022293 0.738410 -0.450926
H 1.375281 1.735947 1.374803
H 1.426847 1.726255 -0.436098
H -1.427246 -1.725923 -0.434370
H -1.373259 -1.735849 1.376458


