%chk=000225949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225949

0 1
O 3.568445 1.984868 -0.168962
O -3.570296 1.984150 0.163042
O 4.639695 1.766251 1.784514
O -4.640994 1.759407 -1.790046
O 0.123279 -0.016880 1.757476
O -0.123369 -0.023743 -1.757639
N 1.816232 0.108108 0.211600
N -1.816284 0.108097 -0.212293
C 4.223051 -1.665183 -0.168139
C -4.221691 -1.666228 0.172255
C 3.739946 -1.161527 1.209298
C -3.738828 -1.166092 -1.206549
C 2.897642 0.127396 1.213638
C -2.897672 0.123573 -1.214445
C 5.186725 -0.683302 -0.839422
C 4.894771 -3.034125 0.011207
C -5.186484 -0.683371 0.840515
C -4.891998 -3.036354 -0.003239
C 3.802633 1.346060 1.025087
C -3.803725 1.341959 -1.029343
C 0.495157 0.043090 0.597845
C -0.495245 0.040922 -0.598256
H 3.333567 -1.802673 -0.833377
H -3.332189 -1.800897 0.838051
H 4.613769 -1.015302 1.880434
H 3.133812 -1.962319 1.685556
H -4.612674 -1.022590 -1.878242
H -3.131885 -1.967697 -1.680419
H 2.428944 0.236903 2.246076
H -2.428995 0.230568 -2.247154
H 4.677540 0.229212 -1.171329
H 5.647444 -1.127575 -1.730131
H 6.004426 -0.388889 -0.171787
H 5.212196 -3.446640 -0.953624
H 4.217183 -3.764189 0.466568
H 5.787607 -2.970973 0.643351
H -4.678245 0.230553 1.169986
H -5.647020 -1.125565 1.732354
H -6.004290 -0.391616 0.171844
H -5.209095 -3.446429 0.962738
H -4.213621 -3.767025 -0.456446
H -5.784831 -2.975909 -0.635650
H 2.083985 0.182089 -0.776680
H -2.084057 0.185888 0.775697
H 4.135473 2.796099 -0.287450
H -4.138036 2.795200 0.279292


%chk=000225949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225949

0 1
O 3.850533 1.569058 -1.526001
O -3.851158 1.571043 1.522957
O 5.381644 1.475620 0.220051
O -5.382574 1.473230 -0.222616
O 0.387002 0.779200 1.763140
O -0.387265 0.772918 -1.765085
N 1.800368 0.772813 -0.111878
N -1.800658 0.774170 0.109940
C 3.325434 -1.827192 0.498977
C -3.324148 -1.827831 -0.495435
C 3.387277 -0.545172 1.367087
C -3.386975 -0.547680 -1.366204
C 3.053457 0.806071 0.649222
C -3.053808 0.805225 -0.651162
C 4.372767 -1.850981 -0.640454
C 3.497640 -3.062591 1.416425
C -4.371085 -1.849786 0.644400
C -3.495957 -3.065278 -1.410194
C 4.219980 1.302678 -0.198907
C -4.220468 1.302892 0.196161
C 0.583575 0.771794 0.504193
C -0.583883 0.770443 -0.506122
H 2.315718 -1.882019 0.041382
H -2.314258 -1.881132 -0.038049
H 4.394162 -0.436984 1.815082
H 2.661687 -0.640343 2.195678
H -4.394031 -0.441009 -1.814177
H -2.661491 -0.644124 -2.194732
H 2.936436 1.551339 1.464201
H -2.937453 1.548909 -1.467686
H 4.190862 -1.063047 -1.393618
H 4.342003 -2.820823 -1.170474
H 5.395569 -1.715630 -0.240257
H 3.404366 -3.999944 0.837712
H 2.736023 -3.079177 2.218058
H 4.495586 -3.060551 1.895899
H -4.189318 -1.060177 1.395850
H -4.339646 -2.818499 1.176438
H -5.394093 -1.715795 0.244267
H -3.401943 -4.001343 -0.829515
H -2.734593 -3.083139 -2.212040
H -4.494062 -3.064853 -1.889341
H 1.810997 0.815788 -1.138848
H -1.811328 0.820724 1.136765
H 4.637126 1.903385 -2.034838
H -4.638017 1.905098 2.031549


