%chk=000202747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202747

0 1
O -0.988944 0.039183 -1.566758
O 1.832243 -0.285178 1.713499
O 0.644067 -2.136601 1.192147
N 3.211419 -0.988490 -1.438351
C -1.379958 0.407130 1.342659
C -0.638640 1.386984 0.465483
C -2.106427 -0.632889 0.525259
C -0.417592 -0.258465 2.356221
C -0.472647 1.152259 -0.908155
C -1.864309 -0.779169 -0.848279
C 3.042144 -0.792308 1.020432
C 0.684672 -1.029914 1.676833
C -0.076362 2.558524 0.993547
C -3.036370 -1.504142 1.112712
C 3.102363 -0.012700 -0.305740
C 0.236798 2.022695 -1.750361
C -2.489605 -1.756585 -1.636521
C 0.630920 3.442435 0.175586
C -3.676382 -2.483085 0.350268
C 4.166043 -0.465903 1.986841
C 0.790064 3.172541 -1.190651
C -3.397347 -2.613741 -1.017728
C 3.727359 -0.301723 -2.661513
C 1.893067 -1.627224 -1.726417
H -2.143836 0.979390 1.938518
H -0.980548 -0.956056 3.011753
H 0.021420 0.517488 3.019766
H 2.925671 -1.890816 0.867875
H -0.186665 2.777535 2.055666
H -3.256890 -1.419560 2.176399
H 3.990931 0.653592 -0.316641
H 2.218032 0.662244 -0.376172
H 0.335833 1.791398 -2.808494
H -2.256595 -1.831200 -2.696212
H 1.063173 4.345591 0.601631
H -4.390840 -3.155212 0.821387
H 4.056094 -1.022185 2.926316
H 4.182418 0.599883 2.247554
H 5.139711 -0.728076 1.553388
H 1.345618 3.867117 -1.820628
H -3.893717 -3.388616 -1.601837
H 3.096960 0.519278 -3.032095
H 3.831016 -1.046286 -3.467523
H 4.734873 0.092401 -2.456824
H 1.093306 -0.934531 -2.033113
H 1.540065 -2.165946 -0.825286
H 2.024393 -2.382065 -2.515744


%chk=000202747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202747

0 1
O -1.660809 0.066333 -1.502296
O 1.878439 -0.481449 1.724495
O 0.382017 -1.840539 0.550732
N 4.024693 -0.773745 -1.373198
C -1.555225 0.445834 1.442888
C -0.927919 1.417163 0.445493
C -2.500358 -0.534030 0.752682
C -0.445765 -0.287690 2.288129
C -0.971166 1.164467 -0.947788
C -2.490343 -0.701416 -0.651473
C 3.018904 -1.013311 0.895438
C 0.603361 -0.966756 1.422025
C -0.238829 2.575169 0.880323
C -3.403425 -1.328220 1.499152
C 3.103248 -0.156604 -0.391430
C -0.329794 2.011599 -1.878372
C -3.318568 -1.641036 -1.298817
C 0.401727 3.440119 -0.031671
C -4.246530 -2.271106 0.875007
C 4.269270 -0.928209 1.765512
C 0.361083 3.149530 -1.417656
C -4.195223 -2.432675 -0.531137
C 4.684133 0.213570 -2.251517
C 3.387124 -1.859826 -2.150262
H -2.139128 1.026713 2.185745
H -0.934511 -1.056922 2.914474
H 0.056736 0.434617 2.951899
H 2.774084 -2.058820 0.634022
H -0.197674 2.793806 1.954756
H -3.440273 -1.206173 2.589610
H 3.486470 0.844560 -0.120231
H 2.077324 -0.016685 -0.807553
H -0.395015 1.768225 -2.943111
H -3.262223 -1.733323 -2.387443
H 0.928122 4.329029 0.331072
H -4.934577 -2.875527 1.475193
H 4.209115 -1.615263 2.627009
H 4.410079 0.099620 2.145402
H 5.142243 -1.201160 1.147045
H 0.856926 3.811417 -2.135934
H -4.839805 -3.166433 -1.026842
H 3.971838 0.759702 -2.920795
H 5.423048 -0.300364 -2.893094
H 5.222606 0.959501 -1.640513
H 2.590814 -1.486553 -2.841810
H 2.918616 -2.593955 -1.473703
H 4.152138 -2.384180 -2.750761


