%chk=000191412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191412

0 1
O 1.423274 -1.911857 -2.253782
O 2.347291 -1.902847 -0.296817
N 0.885699 0.701133 -0.897037
N 4.231676 1.178926 0.743583
N 1.379666 -1.914185 -1.040998
C -0.454919 0.445099 -0.422430
C -0.814072 -0.901278 -0.167465
C -1.393949 1.494335 -0.256324
C -2.128064 -1.173775 0.345785
C -2.710961 1.190543 0.210412
C 1.856011 0.996080 0.210379
C -3.048802 -0.133626 0.520821
C 3.268593 1.097127 -0.403598
C 0.034769 -2.049552 -0.394964
C -1.070856 2.875378 -0.530814
C -2.501603 -2.530294 0.681992
C -3.668108 2.262030 0.370094
C -0.343086 -3.324054 -0.073679
C -1.638291 -3.565237 0.492033
C -1.996546 3.862207 -0.364595
C -3.323075 3.549950 0.091334
C 5.435188 1.981358 0.372933
C 4.638273 -0.188493 1.187370
H 1.607324 1.921122 0.770948
H 1.822008 0.157640 0.945359
H 0.899469 1.447449 -1.604472
H -4.044919 -0.356455 0.903439
H 3.452601 0.223398 -1.071269
H 3.344946 2.002242 -1.038706
H -0.065357 3.119128 -0.874233
H -3.498360 -2.696071 1.093691
H -4.668417 2.006154 0.717454
H 0.313256 -4.180408 -0.244326
H -1.905676 -4.590173 0.749473
H -1.754456 4.904058 -0.571077
H -4.035260 4.366493 0.206702
H 5.123251 3.013112 0.147302
H 6.007183 1.592743 -0.482204
H 6.110553 2.031574 1.242473
H 3.742522 -0.825243 1.305490
H 5.122152 -0.106232 2.172386
H 5.320274 -0.712600 0.501736


%chk=000191412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191412

0 1
O 1.418266 -0.626700 -2.011760
O 2.515281 -2.251538 -0.834700
N 0.812347 1.355775 -0.113804
N 4.501668 0.884065 0.661599
N 1.467724 -1.506855 -1.062811
C -0.454583 0.789972 -0.123687
C -0.689457 -0.628017 0.012056
C -1.601223 1.678288 -0.245876
C -2.024029 -1.073025 0.421959
C -2.935033 1.176724 0.039873
C 1.993666 0.908277 0.648265
C -3.107496 -0.168322 0.447603
C 3.293937 1.121779 -0.158484
C 0.271498 -1.691350 -0.214466
C -1.472624 3.061837 -0.611722
C -2.233521 -2.446081 0.804515
C -4.058219 2.073230 -0.049317
C 0.038582 -3.017613 0.161608
C -1.215205 -3.390704 0.729794
C -2.582385 3.903835 -0.703332
C -3.893637 3.405856 -0.413698
C 5.724693 1.366685 -0.013555
C 4.634009 -0.516982 1.123022
H 2.073442 1.489384 1.591554
H 1.868362 -0.144684 0.937245
H 0.861362 2.337475 -0.386906
H -4.094458 -0.516701 0.771618
H 3.260778 0.486785 -1.077605
H 3.324572 2.177976 -0.497232
H -0.495692 3.490979 -0.863930
H -3.234055 -2.736288 1.145812
H -5.056393 1.676250 0.169820
H 0.808305 -3.763941 -0.052476
H -1.387593 -4.428922 1.028908
H -2.451157 4.949241 -1.002179
H -4.758137 4.074424 -0.484750
H 5.615152 2.437620 -0.263101
H 5.958232 0.813903 -0.957387
H 6.588828 1.261288 0.666243
H 3.825040 -0.771476 1.828972
H 5.591517 -0.630473 1.660897
H 4.598838 -1.255071 0.285815


