%chk=000184196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184196

0 1
O 4.737017 0.747988 -0.637650
O 2.830260 -2.321465 -0.721328
O 1.527579 3.354533 0.231434
O 5.302179 -1.257860 -1.338728
N 0.060062 1.610961 0.133562
N -2.380648 -1.039997 -0.045075
C 3.289887 -1.202880 0.034316
C 2.135558 -0.216406 0.054616
C -0.217760 0.230460 0.050470
C 2.427719 1.121780 0.120938
C -1.188451 2.447626 0.147037
C 0.789613 -0.691193 0.015000
C -2.282012 1.418007 0.074986
C -1.692458 0.082369 0.019444
C 1.386453 2.147198 0.163762
C 3.677329 -1.627248 1.466011
C 3.841014 1.605121 0.127223
C 4.515452 -0.602547 -0.701705
C -3.637475 1.546558 0.056805
C 4.817097 -2.635513 1.498673
C -4.430613 0.349299 -0.016028
C -3.774709 -0.917184 -0.064784
C -5.856106 0.385106 -0.041208
C -4.548134 -2.118848 -0.137554
C -6.578566 -0.782558 -0.111326
C -5.919161 -2.044306 -0.159971
H -1.187577 3.148682 -0.718503
H -1.224169 3.063093 1.074196
H 0.589842 -1.763968 -0.070861
H 2.777667 -2.067757 1.948892
H 3.938422 -0.731027 2.063500
H 3.965023 2.581747 -0.392040
H 4.263013 1.663424 1.148802
H -4.133700 2.515618 0.094976
H 4.534267 -3.584612 1.025403
H 5.717236 -2.270200 0.984476
H 5.107411 -2.866363 2.531556
H 3.599460 -2.889744 -0.992820
H -6.358339 1.351650 -0.004546
H -4.019773 -3.074332 -0.175025
H -7.668621 -0.761424 -0.131345
H -6.523887 -2.950286 -0.215981


%chk=000184196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184196

0 1
O 4.724127 0.656511 -0.692407
O 2.864115 -2.540767 -0.550360
O 1.552384 3.347280 0.295927
O 5.077144 -1.407827 -1.612602
N 0.054864 1.549296 0.159154
N -2.420214 -1.061395 -0.079411
C 3.277360 -1.273843 0.038367
C 2.105363 -0.296216 0.052707
C -0.250814 0.189376 0.052763
C 2.406097 1.064782 0.147103
C -1.152262 2.418906 0.198770
C 0.756892 -0.763084 -0.005142
C -2.274137 1.407418 0.102939
C -1.716412 0.077217 0.018068
C 1.366492 2.087248 0.207116
C 3.777706 -1.532659 1.503596
C 3.837301 1.530359 0.148300
C 4.427135 -0.686492 -0.822556
C -3.652725 1.558453 0.084080
C 4.980903 -2.491198 1.585297
C -4.464400 0.375895 -0.020067
C -3.803817 -0.920164 -0.099825
C -5.894355 0.425924 -0.049076
C -4.599935 -2.104858 -0.204831
C -6.645402 -0.747943 -0.152590
C -5.993944 -2.020583 -0.230927
H -1.119788 3.138632 -0.639985
H -1.156344 3.010141 1.133010
H 0.528639 -1.822847 -0.115661
H 2.913625 -1.966470 2.041184
H 4.014283 -0.570497 1.996750
H 3.922380 2.534466 -0.294276
H 4.282227 1.557897 1.161412
H -4.131868 2.542380 0.144810
H 4.741846 -3.454365 1.103040
H 5.880219 -2.074912 1.096798
H 5.232977 -2.692538 2.641689
H 3.565659 -2.796733 -1.213186
H -6.394188 1.400276 0.010702
H -4.075180 -3.063039 -0.264136
H -7.739360 -0.699458 -0.174676
H -6.597193 -2.931066 -0.312267


