%chk=000229407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229407

0 1
O 5.026760 -0.737887 -0.253419
O 0.172452 -2.379343 -0.867611
O -5.864888 0.144975 0.893212
C 1.798997 0.887202 0.228602
C 0.387644 0.851666 -0.376812
C 2.561156 -0.448761 -0.023326
C -0.410808 -0.272772 0.339719
C -1.880327 -0.341911 -0.195039
C 4.000171 -0.065003 0.499431
C 0.318544 -1.642749 0.351126
C 1.817075 -1.562627 0.725125
C -2.530870 1.052545 0.086400
C 2.777365 1.976079 -0.248036
C -0.306924 2.215403 -0.194297
C 4.173681 1.430211 0.114958
C -1.772090 2.176895 -0.638581
C -2.666702 -1.404361 0.620551
C 2.690493 -0.802175 -1.512876
C -1.931706 -0.693573 -1.687355
C -4.019867 1.077895 -0.291411
C 4.242740 -0.334652 1.982043
C -4.163729 -1.419719 0.308819
C -4.787804 -0.043454 0.372035
H 1.683627 1.014117 1.336696
H 0.442780 0.625015 -1.467566
H -0.479001 0.023517 1.420727
H -0.197889 -2.328471 1.069341
H 1.900632 -1.420423 1.818312
H 2.279180 -2.545846 0.509821
H -2.462002 1.243267 1.187882
H 2.581001 2.943393 0.239817
H 2.689076 2.150562 -1.333645
H 0.235761 2.987289 -0.772660
H -0.245260 2.535454 0.863717
H 4.874322 1.504115 -0.738986
H 4.633661 2.005095 0.932946
H -2.251065 3.152554 -0.430269
H -1.835750 2.039765 -1.734750
H -2.521431 -1.231864 1.703934
H -2.247660 -2.410561 0.410055
H 3.236508 -0.025612 -2.064238
H 3.256997 -1.731030 -1.650778
H 1.711124 -0.925507 -1.996801
H -1.268189 -0.055361 -2.279385
H -1.623125 -1.737336 -1.850956
H -2.940850 -0.586479 -2.096008
H -4.147598 0.997786 -1.390435
H -4.470389 2.053021 -0.014016
H 5.270895 -0.059997 2.255619
H 3.568614 0.248667 2.618204
H 4.118046 -1.390991 2.239685
H -4.691849 -2.101387 1.007909
H -4.342875 -1.843416 -0.701868
H 5.043607 -1.690970 -0.056252
H 0.613337 -1.903248 -1.615909


%chk=000229407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229407

0 1
O 5.138563 -0.860060 -0.017543
O 0.221303 -2.490960 -1.002190
O -5.820723 0.133379 1.275223
C 1.835013 0.880076 0.123783
C 0.402712 0.856347 -0.453649
C 2.610474 -0.462048 -0.045002
C -0.403584 -0.309182 0.213663
C -1.908749 -0.359276 -0.264327
C 4.022623 -0.068321 0.559876
C 0.339057 -1.687467 0.238170
C 1.820864 -1.566890 0.696885
C -2.537621 1.031528 0.117902
C 2.836435 1.948117 -0.385823
C -0.302824 2.214686 -0.198001
C 4.232226 1.402165 0.060190
C -1.802784 2.206327 -0.565024
C -2.667026 -1.463466 0.534135
C 2.828558 -0.823016 -1.545564
C -2.040539 -0.644333 -1.787203
C -4.069778 1.090848 -0.136454
C 4.114402 -0.171719 2.097541
C -4.207398 -1.441180 0.327198
C -4.803747 -0.055285 0.553569
H 1.712749 1.040372 1.219975
H 0.454634 0.699975 -1.551065
H -0.454156 -0.035069 1.296022
H -0.179094 -2.335029 0.967012
H 1.809229 -1.342307 1.781917
H 2.288272 -2.564590 0.574477
H -2.391024 1.148300 1.216235
H 2.631217 2.950925 0.027525
H 2.778281 2.032548 -1.487924
H 0.219367 3.015325 -0.756345
H -0.200024 2.461657 0.880879
H 4.960247 1.389366 -0.768881
H 4.670412 2.018952 0.864697
H -2.266755 3.164017 -0.255396
H -1.929233 2.139394 -1.664122
H -2.453906 -1.335818 1.616375
H -2.288994 -2.460069 0.241406
H 3.625595 -0.209130 -1.995056
H 3.142718 -1.875649 -1.655912
H 1.915522 -0.659710 -2.150567
H -1.427095 0.040985 -2.397698
H -1.714284 -1.674871 -2.000047
H -3.084228 -0.530314 -2.131148
H -4.266661 1.031731 -1.227285
H -4.489110 2.048394 0.221818
H 5.108171 0.185702 2.420412
H 3.349855 0.444364 2.604381
H 3.996543 -1.214729 2.449538
H -4.709856 -2.159732 0.998218
H -4.438164 -1.745609 -0.714428
H 5.101180 -1.778946 0.353976
H 0.736734 -2.051703 -1.722944


