%chk=000213072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213072

0 1
O 0.935780 -0.620652 0.563515
O -0.954666 2.100840 -0.563858
O 2.087923 1.161102 1.440767
O -2.794085 2.692331 -1.816171
N 3.110182 -0.486397 0.089217
N -1.774205 4.184564 -0.345106
C -1.387454 -0.214757 0.047813
C -0.306104 -0.119304 1.152637
C -2.757839 0.205220 0.578318
C -1.442205 -1.664973 -0.432152
C -0.999074 0.749400 -1.102562
C -2.924925 0.841615 1.814775
C -2.069354 -2.621300 0.386862
C -3.887528 -0.036343 -0.224401
C -0.864633 -2.077174 -1.639975
C -4.201698 1.218748 2.247726
C -2.125983 -3.959773 -0.003327
C -5.157942 0.345501 0.208061
C -0.926004 -3.420303 -2.029493
C -5.319755 0.972144 1.448997
C -1.555956 -4.363920 -1.215821
C 2.072258 0.150351 0.774758
C -1.958506 2.968378 -0.982403
C 4.470651 -0.038073 0.070238
C 5.396833 -0.829512 -0.639616
C 4.879086 1.139198 0.718810
C 6.731836 -0.426760 -0.692190
C 6.220163 1.519726 0.651328
C 7.148774 0.744049 -0.050362
H -0.501367 -0.799673 1.998761
H -0.162823 0.925119 1.498789
H -1.704998 0.696003 -1.953316
H 0.043722 0.591766 -1.437457
H -2.073875 1.063239 2.455740
H -2.522601 -2.316765 1.330535
H -3.772775 -0.520201 -1.195297
H -0.352856 -1.369915 -2.289261
H -4.319373 1.708704 3.212958
H -2.616064 -4.691108 0.637816
H -6.024270 0.159725 -0.425760
H -0.478154 -3.727810 -2.973313
H -6.311112 1.268170 1.785906
H -1.603128 -5.407191 -1.520907
H 2.888170 -1.357991 -0.403199
H -1.099707 4.279264 0.398584
H -2.494173 4.887553 -0.413696
H 5.085976 -1.741742 -1.141648
H 4.158821 1.751900 1.270299
H 7.453928 -1.032951 -1.239265
H 6.542594 2.432819 1.152826
H 8.191196 1.049861 -0.096778


%chk=000213072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213072

0 1
O 0.974169 -0.064404 0.044422
O -1.481004 2.299392 -0.956876
O 2.251451 0.910617 1.768566
O -3.374164 2.605519 -2.345106
N 3.220119 -0.193064 -0.099598
N -2.551158 4.300663 -0.945225
C -1.460783 -0.026457 -0.121926
C -0.251345 0.297922 0.791994
C -2.787355 0.270628 0.622184
C -1.394878 -1.522179 -0.524242
C -1.383685 0.886966 -1.379924
C -2.842206 0.940067 1.870404
C -1.669299 -2.507378 0.460875
C -4.010664 -0.116736 0.014442
C -1.038650 -1.958234 -1.824720
C -4.082446 1.204159 2.497759
C -1.583646 -3.882396 0.161230
C -5.248580 0.151924 0.632253
C -0.960393 -3.336777 -2.132008
C -5.290976 0.813111 1.882331
C -1.228083 -4.305824 -1.141022
C 2.182393 0.282960 0.682871
C -2.560667 3.039028 -1.493787
C 4.617567 -0.065986 0.132977
C 5.492393 -0.658955 -0.816697
C 5.153978 0.617946 1.255999
C 6.888661 -0.569956 -0.647110
C 6.554896 0.697743 1.409566
C 7.430949 0.110058 0.468367
H -0.280136 -0.288331 1.727647
H -0.207650 1.373382 1.033064
H -2.199948 0.672362 -2.091409
H -0.404313 0.787369 -1.875149
H -1.926256 1.266041 2.373292
H -1.968298 -2.193113 1.468159
H -3.992277 -0.638560 -0.949358
H -0.818204 -1.235184 -2.616176
H -4.100497 1.717852 3.465789
H -1.800254 -4.622961 0.939387
H -6.178371 -0.152866 0.139395
H -0.689546 -3.650672 -3.146671
H -6.251718 1.019968 2.366925
H -1.165954 -5.373617 -1.378726
H 2.926500 -0.707938 -0.932840
H -1.859921 4.552199 -0.243075
H -3.266055 4.962076 -1.233239
H 5.079338 -1.188660 -1.684790
H 4.479467 1.069953 1.985985
H 7.551622 -1.032312 -1.386743
H 6.962844 1.226210 2.278589
H 8.515735 0.179152 0.600650


