%chk=000217395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217395

0 1
O 0.072364 0.986984 0.342233
O 2.078270 2.561294 1.354390
N 3.497816 -0.253760 -0.532668
N -4.838679 -1.238811 2.436091
C 2.858123 0.369355 0.659282
C 2.300814 1.738978 0.207872
C 3.365318 -1.743036 -0.585078
C 1.003982 1.597033 -0.607286
C 4.095049 -2.462230 0.561378
C 3.903486 -2.209003 -1.944788
C -1.206223 0.724533 -0.081534
C -2.003781 0.146137 0.927921
C -1.709791 0.981754 -1.364292
C -3.328002 -0.169915 0.618378
C -3.040993 0.652953 -1.638399
C -3.856792 0.079595 -0.661054
C -4.165084 -0.762138 1.626818
H 2.026430 -0.260282 1.046481
H 3.554911 0.525651 1.510071
H 3.056421 2.321082 -0.372599
H 2.269984 -1.982021 -0.525442
H 4.484385 0.020300 -0.580230
H 1.139304 0.918457 -1.468647
H 0.599356 2.574807 -0.915290
H 3.984831 -3.549176 0.477127
H 5.168935 -2.249519 0.563498
H 3.699864 -2.173335 1.540329
H 3.431608 -1.652549 -2.765031
H 3.698733 -3.272817 -2.103598
H 4.985143 -2.064816 -2.035528
H 1.307799 2.232718 1.871857
H -1.581324 -0.041061 1.913479
H -1.091271 1.425204 -2.138725
H -3.446606 0.848380 -2.632836
H -4.891980 -0.172642 -0.884181


%chk=000217395-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217395

0 1
O 0.010172 0.984198 0.448316
O 2.065696 2.501476 1.549380
N 3.352447 -0.351533 -0.566009
N -5.187675 -1.134171 2.289155
C 2.919279 0.332360 0.671732
C 2.294440 1.709413 0.333812
C 3.468190 -1.835378 -0.508652
C 1.003690 1.574345 -0.482024
C 4.534568 -2.345168 0.499280
C 3.744337 -2.367856 -1.929042
C -1.282199 0.739812 -0.024361
C -2.178838 0.186652 0.919627
C -1.711905 1.008293 -1.348884
C -3.511764 -0.098567 0.535958
C -3.046062 0.718425 -1.716459
C -3.953710 0.168273 -0.791687
C -4.425359 -0.664065 1.496633
H 2.153256 -0.297260 1.163711
H 3.729478 0.508591 1.413673
H 3.016466 2.303218 -0.257173
H 2.476330 -2.209881 -0.182557
H 4.210611 0.067299 -0.954945
H 1.177198 0.896232 -1.338862
H 0.642236 2.565483 -0.816875
H 4.536217 -3.450185 0.548338
H 5.546980 -2.016204 0.193769
H 4.341004 -1.961166 1.517513
H 2.957346 -2.032880 -2.626743
H 3.779449 -3.471965 -1.936469
H 4.719170 -1.998919 -2.305240
H 1.259466 2.129773 1.994005
H -1.830609 -0.015324 1.936334
H -1.026860 1.433058 -2.087391
H -3.375600 0.926843 -2.739626
H -4.985045 -0.055117 -1.078236


