%chk=000212901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212901

0 1
O 0.197158 -1.389080 0.168135
O 3.187946 -2.718075 -1.068436
O -0.780693 0.069030 1.653657
N -1.898733 -0.696938 -0.252105
C 2.476458 -0.558374 -0.090270
C 1.955617 0.826503 -0.536467
C 1.474916 -1.251043 0.861177
C 2.646465 -1.424541 -1.370611
C 3.824606 -0.457484 0.633091
C 1.747135 1.820933 0.613025
C 1.064118 3.095924 0.123339
C -3.179782 0.033930 -0.017700
C -0.841981 -0.581671 0.628957
C -3.305206 1.210758 -1.010113
C -4.338946 -0.954494 -0.176545
C -2.496357 2.424009 -0.567467
H 0.996852 0.690165 -1.077410
H 2.658454 1.263527 -1.271847
H 1.751216 -2.297052 1.079069
H 1.336995 -0.693948 1.807689
H 3.403990 -0.999037 -2.053323
H 1.685134 -1.548558 -1.899202
H 4.288189 -1.449570 0.735117
H 3.731487 -0.018360 1.630941
H 4.531459 0.163035 0.070150
H 2.717193 2.068163 1.083731
H 1.124240 1.358846 1.411322
H 0.048935 2.881804 -0.250964
H 1.624067 3.578359 -0.683951
H 0.961660 3.823683 0.936242
H -3.162685 0.429555 1.036613
H 2.527685 -3.253413 -0.582432
H -4.372915 1.494238 -1.104493
H -2.993914 0.896281 -2.025015
H -1.807699 -1.266785 -1.087415
H -5.292815 -0.485451 0.093671
H -4.437601 -1.327929 -1.201581
H -4.214213 -1.826692 0.478928
H -1.419871 2.194832 -0.468324
H -2.590666 3.246593 -1.285021
H -2.827298 2.798926 0.409138


%chk=000212901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212901

0 1
O 0.132975 -1.366236 0.186862
O 2.348137 -2.563232 -1.422005
O -0.885101 0.303550 1.520196
N -2.047999 -0.835359 -0.178370
C 2.442141 -0.417010 -0.067786
C 2.088912 1.087154 -0.272881
C 1.439063 -1.131317 0.870072
C 2.403597 -1.094860 -1.474533
C 3.850967 -0.606652 0.552068
C 2.199789 2.001638 0.967944
C 1.817269 3.460839 0.636107
C -3.345599 -0.141849 -0.027073
C -0.949613 -0.544065 0.592088
C -3.609971 0.826818 -1.212666
C -4.480677 -1.176287 0.133044
C -2.534909 1.921436 -1.369768
H 1.053866 1.159069 -0.669120
H 2.751205 1.487120 -1.071092
H 1.805026 -2.139135 1.126533
H 1.252018 -0.552120 1.789072
H 3.333673 -0.866353 -2.023534
H 1.543264 -0.698199 -2.051790
H 4.165581 -1.662304 0.460229
H 3.876603 -0.330325 1.622443
H 4.592824 0.021381 0.025034
H 3.232251 1.973735 1.367736
H 1.527587 1.630110 1.764447
H 0.774470 3.517252 0.270139
H 2.474806 3.879484 -0.149860
H 1.897055 4.110906 1.526560
H -3.253810 0.453111 0.900238
H 1.432775 -2.812787 -1.133174
H -4.601324 1.294970 -1.050895
H -3.692157 0.237232 -2.149807
H -1.946986 -1.554197 -0.897354
H -5.447438 -0.665844 0.291070
H -4.578169 -1.804529 -0.773666
H -4.291189 -1.838333 0.995658
H -1.542495 1.479011 -1.572155
H -2.780318 2.599400 -2.207123
H -2.447501 2.527374 -0.449586


