%chk=000229258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229258

0 1
O 3.798622 1.671702 0.326809
O -3.796321 -1.672252 0.334330
O 1.822846 2.224455 -0.616496
O -1.822414 -2.224985 -0.612881
O 1.422937 -4.426084 0.943395
O -1.418629 4.425090 0.947806
O 3.378704 -3.902114 1.904838
O -3.372441 3.901064 1.913180
N 0.997455 -1.945551 -0.092102
N -0.995691 1.944839 -0.089432
C -0.000571 -0.000263 -1.333733
C 1.039890 -0.637451 -0.481990
C -1.039114 0.636904 -0.479656
C 2.217630 -0.036199 0.054035
C -2.215782 0.035599 0.058705
C 2.916146 -1.042789 0.785571
C -2.912666 1.042056 0.791946
C 2.147035 -2.224137 0.687953
C -2.143599 2.223343 0.693101
C 4.179612 -0.890741 1.518051
C -4.174640 0.889980 1.526994
C 2.542474 1.361580 -0.130495
C -2.541066 -1.362128 -0.125406
C 2.432187 -3.526188 1.250029
C -2.427349 3.525222 1.256263
C 4.255038 3.057094 0.177185
C -4.253060 -3.057630 0.185488
C 4.719320 3.289844 -1.244560
C -4.720748 -3.289982 -1.235207
H -0.485344 -0.752696 -2.009540
H 0.482663 0.752156 -2.010638
H 0.247118 -2.618020 -0.273631
H -0.245726 2.617330 -0.272471
H 4.896818 -0.255865 0.967513
H 4.664737 -1.860686 1.730500
H 4.018801 -0.395795 2.491213
H -4.659184 1.859936 1.740719
H -4.893072 0.255366 0.977755
H -4.011895 0.394750 2.499689
H 5.076459 3.080217 0.916471
H 3.434599 3.734062 0.475116
H -5.072696 -3.080965 0.926740
H -3.431896 -3.734669 0.481255
H 1.600393 -5.328487 1.319633
H -1.595177 5.327390 1.324734
H 5.423476 2.513837 -1.572037
H 3.871913 3.275404 -1.946380
H 5.218098 4.260536 -1.350354
H -5.425853 -2.514004 -1.560703
H -3.875056 -3.275135 -1.939078
H -5.219582 -4.260741 -1.340125


%chk=000229258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229258

0 1
O 3.898201 1.692334 0.309030
O -3.894789 -1.693659 0.317546
O 1.806601 2.267179 -0.539733
O -1.804439 -2.266922 -0.535446
O 1.319621 -4.431334 0.837169
O -1.318874 4.431664 0.841060
O 3.359877 -3.997436 1.886103
O -3.356540 3.996373 1.894444
N 1.052108 -1.926210 -0.104996
N -1.051913 1.926798 -0.102013
C -0.000862 0.000655 -1.324325
C 1.088643 -0.613705 -0.480904
C -1.088591 0.614361 -0.478138
C 2.279790 -0.040509 0.054868
C -2.278071 0.040336 0.060392
C 2.989259 -1.080191 0.770678
C -2.986606 1.079498 0.777875
C 2.190729 -2.242532 0.659671
C -2.189036 2.242347 0.665198
C 4.298873 -0.976201 1.502813
C -4.294477 0.974624 1.512984
C 2.602663 1.378790 -0.099594
C -2.600198 -1.379209 -0.093388
C 2.395710 -3.579105 1.194911
C -2.393637 3.578721 1.201079
C 4.302610 3.129650 0.204977
C -4.298567 -3.131171 0.213734
C 4.824012 3.448512 -1.198862
C -4.822286 -3.449830 -1.189289
H -0.445893 -0.779155 -1.963569
H 0.442733 0.780782 -1.964181
H 0.247380 -2.542865 -0.280512
H -0.247957 2.543961 -0.279272
H 5.111432 -0.694870 0.809429
H 4.549192 -1.932156 1.987248
H 4.259278 -0.177894 2.265433
H -4.544151 1.930317 1.998268
H -5.108490 0.693113 0.821378
H -4.252739 0.176098 2.275258
H 5.088857 3.229179 0.970424
H 3.433642 3.759439 0.463823
H -5.083395 -3.231398 0.980545
H -3.428788 -3.760561 0.470816
H 1.491300 -5.331865 1.220136
H -1.490282 5.332046 1.224496
H 5.648039 2.768877 -1.476725
H 4.017622 3.359524 -1.945591
H 5.207652 4.485429 -1.226079
H -5.647162 -2.770535 -1.465456
H -4.017267 -3.360150 -1.937418
H -5.205416 -4.486943 -1.216195


