%chk=000251022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251022

0 1
O 0.637853 -0.976792 -0.191293
O -5.533648 -0.212307 0.114722
O 2.115732 3.731891 -0.491439
N 2.860873 2.561820 -0.347636
C 0.037499 0.266264 -0.709025
C 0.622583 1.491829 -0.005206
C -1.435698 0.104112 -0.449988
C 2.125884 1.506264 -0.119873
C 2.778725 0.200519 0.067110
C 1.990252 -0.970389 0.035506
C -2.361251 0.624169 -1.374954
C -1.890877 -0.553169 0.698945
C 4.156821 0.061188 0.310870
C 2.542185 -2.245436 0.261573
C -3.725292 0.501913 -1.148836
C -3.259437 -0.695366 0.946404
C 4.715782 -1.196827 0.528005
C 3.907419 -2.344382 0.508242
C -4.162460 -0.162932 0.018482
C -6.110012 -0.880318 1.263482
H 0.280351 0.267024 -1.797215
H 0.341382 1.501197 1.071290
H 0.179434 2.421719 -0.426411
H -2.008421 1.129054 -2.275102
H -1.164190 -0.968899 1.401969
H 4.787955 0.953515 0.332071
H 1.896843 -3.120167 0.234111
H -4.460516 0.898724 -1.845250
H -3.596545 -1.211092 1.838709
H 5.782809 -1.291541 0.715421
H 4.354862 -3.323288 0.684407
H 2.834133 4.423181 -0.677063
H -5.821848 -1.935380 1.273815
H -7.185236 -0.768244 1.070643
H -5.821647 -0.367553 2.185414


%chk=000251022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251022

0 1
O 0.687642 -1.060481 0.034697
O -5.663700 -0.195333 -0.027984
O 1.977093 3.759507 -0.113867
N 2.847537 2.575188 -0.123403
C 0.052629 0.151557 -0.568884
C 0.614831 1.425360 0.098522
C -1.445290 0.005665 -0.406577
C 2.127929 1.470058 -0.014461
C 2.845274 0.179843 0.042298
C 2.090504 -1.030415 0.105436
C -2.318564 0.382132 -1.458742
C -2.004437 -0.459256 0.805830
C 4.264605 0.091136 0.108118
C 2.732847 -2.280652 0.259896
C -3.714431 0.310398 -1.302111
C -3.403289 -0.548577 0.977285
C 4.908243 -1.150198 0.247012
C 4.137141 -2.339827 0.332557
C -4.261841 -0.155579 -0.080522
C -6.281775 -0.680723 1.208106
H 0.323124 0.159166 -1.645671
H 0.321052 1.436232 1.167094
H 0.170366 2.322471 -0.363821
H -1.904362 0.732967 -2.412080
H -1.338143 -0.782744 1.612497
H 4.840932 1.020303 0.063577
H 2.115581 -3.182842 0.307329
H -4.396865 0.597860 -2.107439
H -3.806070 -0.924220 1.922566
H 6.000926 -1.198995 0.297042
H 4.632610 -3.310069 0.447923
H 2.631692 4.494883 -0.228683
H -5.992187 -1.728680 1.419073
H -7.365306 -0.625129 1.027912
H -6.013997 -0.040704 2.071373


