%chk=000249338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249338

0 1
O -5.059495 -0.617108 0.786809
O 5.733200 0.121863 0.227891
C -2.127172 0.585240 -0.905127
C -2.774033 0.224133 0.464541
C -0.590863 0.695843 -0.919767
C 0.097402 -0.442266 -0.129317
C -1.982150 -0.845445 1.246146
C -2.662420 -0.476707 -1.899045
C -0.484705 -0.544712 1.295797
C -0.134911 2.061218 -0.374684
C -4.116250 -0.438048 0.058829
C -4.064840 -0.847808 -1.402014
C 1.598298 -0.258139 -0.061335
C -3.041723 1.461325 1.317513
C 1.373992 2.235907 -0.561030
C 2.181999 1.008701 -0.232752
C 2.428954 -1.376787 0.199860
C 3.576040 1.174026 -0.141591
C 3.815282 -1.226533 0.290705
C 4.363672 0.051746 0.120732
C 1.850244 -2.744189 0.384404
H -2.537981 1.576759 -1.222901
H -0.253638 0.620816 -1.985062
H -0.122140 -1.397380 -0.672411
H -2.139789 -1.841093 0.784576
H -2.388048 -0.925787 2.274167
H -2.007260 -1.365873 -1.916456
H -2.682333 -0.085782 -2.928675
H -0.292962 0.394374 1.849669
H 0.041234 -1.339093 1.862443
H -0.400108 2.141035 0.700067
H -0.671978 2.883600 -0.882055
H -4.285174 -1.923799 -1.516644
H -4.859027 -0.326014 -1.968027
H -3.628546 1.204764 2.210897
H -2.102588 1.919087 1.653054
H -3.609014 2.224188 0.773423
H 1.722882 3.092650 0.052539
H 1.590173 2.518869 -1.615038
H 4.024268 2.151034 -0.273120
H 4.472891 -2.068243 0.489232
H 2.608994 -3.494282 0.644100
H 1.098227 -2.752981 1.190298
H 1.353831 -3.093504 -0.532435
H 6.068965 1.041994 0.102796


%chk=000249338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249338

0 1
O -5.143823 -0.579042 0.842689
O 5.833848 0.171857 0.341533
C -2.152681 0.561069 -0.907867
C -2.824947 0.246842 0.471737
C -0.604451 0.702649 -0.917305
C 0.102193 -0.429914 -0.114818
C -2.022114 -0.863487 1.239027
C -2.680004 -0.559841 -1.860432
C -0.515390 -0.539044 1.312704
C -0.117031 2.087734 -0.424806
C -4.173511 -0.401564 0.066916
C -4.140031 -0.801007 -1.415390
C 1.622546 -0.252369 -0.061154
C -3.077673 1.462099 1.392037
C 1.397137 2.245783 -0.661343
C 2.218320 1.027337 -0.242720
C 2.469217 -1.380364 0.199776
C 3.619941 1.187992 -0.107972
C 3.863944 -1.203495 0.324779
C 4.436127 0.078833 0.186331
C 1.914328 -2.794262 0.302291
H -2.577052 1.524032 -1.268635
H -0.280883 0.610651 -1.978330
H -0.111967 -1.393996 -0.623008
H -2.147227 -1.845430 0.736725
H -2.458117 -0.970985 2.249893
H -2.084446 -1.483721 -1.737400
H -2.599829 -0.258600 -2.919458
H -0.345012 0.402975 1.867589
H 0.001387 -1.326506 1.891331
H -0.343409 2.215765 0.649584
H -0.661875 2.889735 -0.960209
H -4.512337 -1.830549 -1.557291
H -4.843078 -0.133123 -1.953378
H -3.835880 1.194015 2.150038
H -2.160854 1.781519 1.917165
H -3.460238 2.326926 0.819058
H 1.774653 3.148279 -0.142382
H 1.571841 2.420195 -1.744489
H 4.063745 2.184283 -0.245069
H 4.522781 -2.053822 0.526199
H 2.722762 -3.515824 0.506687
H 1.162230 -2.899669 1.104789
H 1.422914 -3.103304 -0.640676
H 6.135347 1.106945 0.226257


