%chk=000180401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180401

0 1
O -1.433985 -1.317210 -0.912738
O -6.129178 1.155585 0.594848
C 4.526672 0.622524 0.464465
C 3.762705 0.949836 -0.840519
C 4.911870 -0.870055 0.509362
C 5.751072 1.549340 0.626292
C 2.372141 0.379305 -0.845486
C 5.391274 -1.312384 1.889738
C 6.779017 1.445091 -0.497230
C 2.074505 -0.762829 -1.610949
C 1.358705 0.984412 -0.086732
C 0.787215 -1.293830 -1.628202
C 0.060121 0.469092 -0.082364
C -0.204434 -0.664383 -0.857076
C -2.574372 -0.633142 -0.467666
C -2.967683 0.586841 -1.044926
C -3.348238 -1.301089 0.484364
C -4.173597 1.150012 -0.652057
C -4.568726 -0.740763 0.875789
C -4.964403 0.476120 0.307184
C -7.035402 0.564978 1.556696
H 3.840960 0.827348 1.325778
H 4.340912 0.584035 -1.712137
H 3.712993 2.050319 -0.973150
H 5.694063 -1.080407 -0.245180
H 4.034297 -1.481062 0.214924
H 6.242925 1.318539 1.593169
H 5.403630 2.597587 0.711780
H 5.634317 -2.380801 1.898073
H 4.625388 -1.145390 2.655632
H 6.291399 -0.768544 2.198738
H 7.124705 0.412304 -0.628256
H 6.369476 1.778461 -1.456761
H 7.659210 2.061829 -0.284230
H 2.857239 -1.239316 -2.200787
H 1.583376 1.867023 0.511587
H 0.538324 -2.174789 -2.215081
H -0.718403 0.934446 0.516605
H -2.334321 1.068988 -1.788989
H -3.002779 -2.246299 0.901214
H -4.526777 2.092233 -1.067586
H -5.183870 -1.252971 1.608711
H -7.394651 -0.403456 1.197116
H -7.849166 1.302123 1.577646
H -6.553826 0.486147 2.535390


%chk=000180401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180401

0 1
O -1.462546 -1.381237 -0.578197
O -6.358693 1.212904 0.476621
C 4.668842 0.677938 0.442462
C 3.800389 1.002989 -0.817315
C 4.984527 -0.839646 0.526533
C 5.935740 1.580248 0.495241
C 2.399732 0.408647 -0.770212
C 5.716698 -1.266524 1.817596
C 6.955144 1.362469 -0.647065
C 2.038054 -0.705974 -1.570341
C 1.414215 0.944046 0.100611
C 0.744241 -1.266523 -1.512255
C 0.115657 0.397389 0.177789
C -0.214186 -0.710678 -0.638032
C -2.652953 -0.673813 -0.261410
C -2.935882 0.618507 -0.769554
C -3.613938 -1.367303 0.499014
C -4.180776 1.213008 -0.497484
C -4.869209 -0.775133 0.767232
C -5.151531 0.521834 0.271528
C -7.398369 0.532309 1.250102
H 4.055734 0.935340 1.334573
H 4.326221 0.638894 -1.721084
H 3.733362 2.106295 -0.909840
H 5.583944 -1.140342 -0.357314
H 4.030480 -1.397057 0.454377
H 6.446845 1.426929 1.465954
H 5.607934 2.640423 0.486376
H 5.830852 -2.365456 1.861440
H 5.150490 -0.951944 2.715094
H 6.727878 -0.824826 1.885861
H 7.357475 0.332896 -0.643815
H 6.503197 1.545485 -1.639048
H 7.811359 2.053691 -0.540135
H 2.778445 -1.138744 -2.253956
H 1.665002 1.805413 0.732548
H 0.463203 -2.125659 -2.128882
H -0.625476 0.819513 0.863830
H -2.196653 1.147112 -1.379180
H -3.374405 -2.368710 0.868854
H -4.426184 2.208176 -0.880215
H -5.604355 -1.329720 1.357451
H -7.717410 -0.407504 0.757887
H -8.241527 1.237849 1.282548
H -7.056866 0.312287 2.280815


