%chk=000228164.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228164

0 1
O 3.495864 7.154287 1.038186
O 4.907954 -6.168416 -0.710241
O -4.065419 3.504065 -0.418831
O -1.016127 -0.114414 -0.442879
O -5.102211 -1.240763 1.112521
N -4.053801 -0.091093 -0.418500
N -2.385784 2.181222 0.499338
N -1.548143 -2.040446 -1.634696
N -4.355262 -1.252079 0.177342
N -1.483325 3.226108 0.527938
N -0.322658 -2.616438 -1.369452
C -4.617790 1.224907 -0.027764
C -3.144541 -0.165135 -1.586257
C -3.666130 2.431585 -0.025409
C -1.784194 -0.742943 -1.136042
C 0.753655 4.038040 0.834471
C 1.185217 -4.478079 -1.445603
C 0.371022 5.391401 0.697618
C 2.235466 -3.756411 -0.834024
C 2.104847 3.720040 1.045304
C 1.393013 -5.815121 -1.822128
C 2.668490 6.056077 0.985709
C 3.647801 -5.702347 -0.994291
C 1.317208 6.403332 0.771956
C 3.464316 -4.357048 -0.605797
C 3.074649 4.722658 1.123263
C 2.622100 -6.439700 -1.601744
C -0.228303 2.944495 0.760367
C -0.128551 -3.865395 -1.698768
C 4.909794 6.929511 1.254755
C 5.222037 -7.539890 -1.056165
H -5.070997 1.134150 0.995606
H -5.471051 1.478472 -0.706909
H -3.619826 -0.751634 -2.405584
H -2.962729 0.852612 -2.014268
H -0.683031 5.638325 0.530608
H 2.072842 -2.714269 -0.538834
H 2.411208 2.678165 1.149396
H 0.589865 -6.382642 -2.293606
H -2.072451 1.212198 0.698237
H -2.312899 -2.577984 -2.061462
H 1.042573 7.451034 0.669431
H 4.285581 -3.818893 -0.136046
H 4.113225 4.458319 1.286240
H 2.765156 -7.472952 -1.898538
H 0.180372 1.927911 0.905346
H -0.873864 -4.530619 -2.163692
H 5.302508 7.954867 1.249864
H 5.331921 6.344475 0.432816
H 5.074552 6.451675 2.224594
H 6.264030 -7.621318 -0.718244
H 5.148812 -7.685551 -2.137523
H 4.576710 -8.228648 -0.503703


%chk=000228164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228164

0 1
O 3.642479 7.102639 1.118978
O 5.095442 -6.256502 -0.809057
O -4.340941 3.767912 -0.450804
O -1.265658 -0.195436 -0.119023
O -5.061436 -0.422932 1.790772
N -4.157088 0.055685 -0.227533
N -2.521915 2.376404 0.120365
N -1.561304 -2.172568 -1.348077
N -4.337453 -0.851566 0.829284
N -1.618226 3.435456 0.233350
N -0.279875 -2.656792 -1.095921
C -4.772808 1.392161 -0.264246
C -3.373720 -0.513683 -1.334546
C -3.841366 2.636399 -0.212736
C -1.967873 -0.944710 -0.856191
C 0.659118 4.122361 0.684461
C 1.297003 -4.480820 -1.373747
C 0.378517 5.512681 0.513303
C 2.347142 -3.821601 -0.663081
C 1.984489 3.733702 1.010353
C 1.541443 -5.774653 -1.904818
C 2.712527 6.061665 0.991708
C 3.819735 -5.737429 -1.035899
C 1.389632 6.468995 0.664331
C 3.590387 -4.440084 -0.496430
C 3.012943 4.687717 1.165710
C 2.789922 -6.408806 -1.743505
C -0.377256 3.098003 0.534705
C -0.011814 -3.860670 -1.564740
C 5.021583 6.743785 1.458739
C 5.397412 -7.593699 -1.333361
H -5.441052 1.443220 0.617233
H -5.397508 1.506609 -1.168458
H -3.923320 -1.350966 -1.805723
H -3.242203 0.276127 -2.095074
H -0.644507 5.810819 0.263353
H 2.157451 -2.825456 -0.251610
H 2.215553 2.669562 1.145439
H 0.745069 -6.294965 -2.451946
H -2.178265 1.395370 0.227106
H -2.245424 -2.747085 -1.865449
H 1.189900 7.537379 0.537596
H 4.405027 -3.950932 0.045684
H 4.024242 4.355856 1.418153
H 2.948286 -7.406290 -2.162901
H -0.067520 2.045992 0.683581
H -0.764536 -4.457022 -2.123383
H 5.563198 7.699718 1.507216
H 5.472513 6.097864 0.680348
H 5.074295 6.234286 2.440549
H 6.438724 -7.786801 -1.038741
H 5.309244 -7.619839 -2.436340
H 4.733493 -8.357354 -0.885073


