%chk=000276438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276438

0 1
O 5.009900 0.956352 0.417882
O -5.823249 0.132651 0.240172
C 2.703705 0.589401 -0.327897
C 1.978387 -0.775962 -0.519008
C 1.965117 1.474051 0.694731
C 2.622935 -1.739056 0.513925
C 0.482127 -0.714315 -0.380131
C 4.069310 0.213086 0.295989
C 4.050025 -1.233911 0.748304
C 0.498610 1.686329 0.308283
C -0.199719 0.396477 -0.027264
C 2.927492 1.309616 -1.654685
C -0.252461 -1.986833 -0.719316
C -1.674885 0.381218 0.031619
C -1.532421 -2.136320 0.114497
C -2.342873 -0.870266 0.102712
C -2.436515 1.557376 0.004866
C -3.733713 -0.930414 0.177736
C -3.832333 1.521451 0.071328
C -4.457496 0.272344 0.163120
H 2.208878 -1.153092 -1.547714
H 2.480008 2.449905 0.789540
H 2.012989 1.001136 1.696725
H 2.613080 -2.778774 0.150760
H 2.045655 -1.732163 1.456876
H 4.797370 -1.816189 0.176813
H 4.361126 -1.319891 1.805024
H 0.431955 2.370778 -0.564100
H -0.021419 2.198842 1.144261
H 3.486785 0.695007 -2.368762
H 1.974100 1.578030 -2.124950
H 3.502283 2.234823 -1.509160
H -0.507115 -1.971775 -1.801390
H 0.388615 -2.876764 -0.572647
H -1.272855 -2.379211 1.168508
H -2.124517 -2.995996 -0.256153
H -1.945277 2.527841 -0.074480
H -4.268305 -1.874754 0.242209
H -4.407874 2.439447 0.050473
H -6.287628 1.004422 0.223401


%chk=000276438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276438

0 1
O 5.106971 1.037518 0.125417
O -5.928952 0.216973 -0.032289
C 2.714139 0.560203 -0.350740
C 2.009185 -0.827044 -0.392844
C 2.031388 1.438298 0.748299
C 2.721560 -1.666447 0.728239
C 0.497972 -0.776553 -0.276532
C 4.142520 0.234963 0.142323
C 4.197603 -1.212187 0.658121
C 0.529799 1.642846 0.461876
C -0.193515 0.350725 0.097734
C 2.745468 1.291068 -1.709266
C -0.258019 -2.032121 -0.697751
C -1.679253 0.353145 0.081532
C -1.593839 -2.179287 0.060223
C -2.394698 -0.887171 0.021024
C -2.430678 1.556816 0.119463
C -3.800400 -0.898187 -0.017318
C -3.841535 1.550914 0.083256
C -4.525146 0.315937 0.011156
H 2.259145 -1.310304 -1.364687
H 2.551669 2.412214 0.808244
H 2.143473 0.949646 1.736161
H 2.600374 -2.752749 0.576510
H 2.285221 -1.416787 1.712658
H 4.767635 -1.807236 -0.084811
H 4.753415 -1.274822 1.609478
H 0.397460 2.385562 -0.352852
H 0.057012 2.094247 1.356844
H 3.237398 0.670887 -2.481450
H 1.723946 1.518438 -2.061519
H 3.313438 2.234560 -1.624149
H -0.449135 -1.986916 -1.792760
H 0.368246 -2.929315 -0.530329
H -1.371940 -2.425451 1.120842
H -2.186194 -3.018798 -0.347077
H -1.914482 2.520871 0.166401
H -4.355195 -1.841100 -0.063321
H -4.398368 2.496723 0.107892
H -6.343891 1.114820 -0.011903


