%chk=000180377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180377

0 1
O -0.217928 -0.282673 0.048426
O -6.367354 0.462235 -0.473006
C 6.191201 0.009989 -0.274167
C 5.375736 -0.744833 0.802310
C 7.666108 -0.447260 -0.261391
C 6.049019 1.534975 -0.094293
C 3.894068 -0.645986 0.569548
C 8.394061 -0.205600 1.058333
C 6.578134 2.320873 -1.291585
C 3.283544 -1.406348 -0.435290
C 3.104382 0.210833 1.361390
C 1.904879 -1.329050 -0.663754
C 1.733640 0.306843 1.156351
C 1.144110 -0.470940 0.137497
C -0.941395 -1.016268 -0.990964
C -2.373850 -0.607542 -0.812301
C -2.911878 -0.472115 0.473385
C -3.181913 -0.367714 -1.939605
C -5.040404 0.110676 -0.480539
C -4.250205 -0.110888 0.654524
C -4.516438 -0.016213 -1.786157
C -7.028394 0.644472 0.819645
C -8.450492 1.032447 0.416294
C -9.319835 1.270182 1.644386
H 5.770440 -0.259114 -1.276360
H 5.641381 -0.361713 1.807435
H 5.679202 -1.811872 0.814556
H 8.205246 0.076883 -1.076550
H 7.713965 -1.523962 -0.516719
H 6.571893 1.856346 0.826878
H 4.979376 1.783835 0.061581
H 8.343081 0.849109 1.355459
H 7.965511 -0.797409 1.874244
H 9.453222 -0.474247 0.979012
H 7.648061 2.143850 -1.450620
H 6.057040 2.047073 -2.215957
H 6.441584 3.398289 -1.146240
H 3.886235 -2.071199 -1.053490
H 3.572509 0.806864 2.144593
H 1.455955 -1.927773 -1.447423
H 1.108747 0.964319 1.755548
H -0.527516 -0.725429 -1.972564
H -0.798446 -2.098852 -0.815189
H -2.270587 -0.640286 1.342130
H -2.762246 -0.458414 -2.941530
H -4.648476 -0.006560 1.657239
H -5.162883 0.168600 -2.640585
H -6.984659 -0.307110 1.374271
H -6.506987 1.442979 1.372649
H -8.884478 0.237123 -0.224229
H -8.420105 1.937819 -0.224577
H -10.340220 1.549403 1.352608
H -8.929856 2.081171 2.271028
H -9.396886 0.373781 2.271166


%chk=000180377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180377

0 1
O -0.227172 0.015522 0.063180
O -6.613404 0.340953 -0.571189
C 6.337881 -0.061442 -0.285894
C 5.454986 -0.782692 0.786021
C 7.798105 -0.600395 -0.262404
C 6.244580 1.480997 -0.139946
C 3.958048 -0.592439 0.584581
C 8.588802 -0.317621 1.035872
C 6.961549 2.270278 -1.257347
C 3.269845 -1.289731 -0.438642
C 3.201717 0.294060 1.397944
C 1.883089 -1.122499 -0.654909
C 1.819337 0.476601 1.201668
C 1.152884 -0.234071 0.173874
C -0.975709 -0.754047 -0.949078
C -2.446247 -0.422474 -0.813217
C -3.041907 -0.246951 0.456933
C -3.266731 -0.326501 -1.966406
C -5.232321 0.092188 -0.576434
C -4.423727 0.013291 0.586256
C -4.647620 -0.078553 -1.855721
C -7.269552 0.559300 0.731315
C -8.750910 0.823362 0.451307
C -9.535567 1.098825 1.752752
H 5.916005 -0.323571 -1.281471
H 5.742244 -0.421685 1.792737
H 5.696958 -1.864797 0.754891
H 8.353951 -0.176208 -1.121681
H 7.765547 -1.696776 -0.430665
H 6.652168 1.781666 0.847066
H 5.174021 1.764428 -0.129265
H 8.711303 0.766788 1.211050
H 8.085863 -0.748102 1.920860
H 9.600241 -0.760695 0.980226
H 8.055354 2.111186 -1.238652
H 6.593910 1.964099 -2.255422
H 6.781638 3.356177 -1.152210
H 3.824920 -1.986489 -1.079806
H 3.703940 0.846299 2.201692
H 1.393961 -1.682373 -1.457741
H 1.238052 1.158406 1.830323
H -0.608965 -0.502144 -1.965406
H -0.791912 -1.836536 -0.773028
H -2.411050 -0.294185 1.350319
H -2.824135 -0.443574 -2.963408
H -4.852053 0.152197 1.583218
H -5.287296 -0.002264 -2.740113
H -7.139899 -0.339692 1.370433
H -6.802622 1.427338 1.243119
H -9.176741 -0.050004 -0.076706
H -8.833758 1.685979 -0.235799
H -10.601698 1.285512 1.534190
H -9.140228 1.987022 2.280534
H -9.480774 0.239634 2.447597


