%chk=000229536.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229536

0 1
O 6.154817 1.516284 -0.001350
O 4.540939 2.956065 -0.002881
N -0.447422 1.064432 -0.000948
N 4.970410 1.815235 -0.001858
C 2.185475 -1.394745 0.000584
C 1.722961 -0.038301 -0.000340
C 1.010586 -2.285558 0.001243
C -0.169931 -1.475203 0.000747
C 0.225258 -0.027803 -0.000187
C 2.609422 1.020034 -0.001150
C 3.542544 -1.680989 0.000702
C 0.921627 -3.666436 0.002131
C -1.423554 -2.055740 0.001092
C 3.989365 0.708855 -0.001012
C 4.453426 -0.611906 -0.000103
C -0.361342 -4.252394 0.002513
C -1.508892 -3.464467 0.001996
C -1.873151 1.146511 -0.000735
C -4.644175 1.560051 -0.000190
C -2.564687 1.244826 1.220363
C -2.564179 1.251390 -1.221568
C -6.133316 1.778091 0.000095
C -3.943925 1.451098 1.211565
C -3.943433 1.457520 -1.212223
C -6.886429 0.448017 -0.002952
H 2.266929 2.063184 -0.001854
H 3.902960 -2.708471 0.001395
H 1.811914 -4.291706 0.002512
H -2.331150 -1.449743 0.000698
H 5.533185 -0.806217 -0.000026
H -0.447745 -5.339381 0.003208
H -2.492470 -3.935039 0.002287
H -2.023503 1.174826 2.162358
H -2.022581 1.186427 -2.163696
H -6.435233 2.379932 0.882245
H -6.435021 2.383828 -0.879456
H -4.480073 1.529812 2.156831
H -4.479203 1.541203 -2.157279
H -6.638327 -0.150803 -0.887305
H -7.970605 0.606543 -0.002819
H -6.638672 -0.154664 0.878868


%chk=000229536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229536

0 1
O 6.151388 1.647403 -0.268060
O 4.379985 3.061936 -0.524933
N -0.485508 0.934080 -0.289213
N 4.881872 1.886969 -0.332779
C 2.225024 -1.428069 0.114486
C 1.709937 -0.111673 -0.092972
C 1.081945 -2.355875 0.215167
C -0.137115 -1.606879 0.097625
C 0.216595 -0.155918 -0.095329
C 2.555721 0.993994 -0.240937
C 3.616959 -1.646655 0.179592
C 1.059737 -3.755843 0.365269
C -1.378553 -2.275697 0.101631
C 3.948176 0.747889 -0.176834
C 4.487721 -0.545886 0.031679
C -0.191554 -4.417844 0.383594
C -1.396491 -3.685223 0.243220
C -1.885749 1.072861 -0.157524
C -4.688863 1.613740 0.113048
C -2.595721 0.660595 1.007726
C -2.586524 1.794590 -1.164585
C -6.184745 1.860832 0.232571
C -3.970216 0.941453 1.136821
C -3.968242 2.031855 -1.038096
C -7.024236 0.719263 -0.404166
H 2.166296 2.002317 -0.398936
H 4.027988 -2.648196 0.340813
H 1.988797 -4.328817 0.455922
H -2.315905 -1.724209 -0.004274
H 5.573792 -0.662144 0.073395
H -0.230406 -5.506405 0.499101
H -2.354869 -4.215356 0.246521
H -2.054698 0.163599 1.820761
H -2.028157 2.153944 -2.034727
H -6.466592 1.962139 1.297924
H -6.448524 2.816365 -0.259957
H -4.494504 0.639393 2.051941
H -4.494411 2.573299 -1.833901
H -6.787817 0.607310 -1.477875
H -8.105894 0.926609 -0.309259
H -6.813839 -0.247147 0.089051


