%chk=000191817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191817

0 1
O 5.065925 -1.126249 0.747112
O -5.174750 -0.194869 -1.519652
O 4.587358 1.402988 -1.036803
C -0.479651 0.475155 -0.281559
C 0.401797 -0.708307 0.220509
C -1.919005 0.388086 0.328044
C 1.788972 -0.555837 -0.419922
C 2.461103 0.773388 0.045893
C -2.524609 -0.989463 -0.091407
C 0.186767 1.841773 -0.006973
C -0.236411 -2.059303 -0.145994
C 1.637246 1.937809 -0.511115
C -1.663100 -2.163981 0.403568
C -2.809282 1.495970 -0.297679
C 2.851272 -1.644448 -0.182162
C -3.978050 -1.142122 0.384548
C -1.877526 0.554833 1.854713
C 3.875830 0.581524 -0.532482
C 4.211314 -0.936374 -0.374660
C -4.281265 1.386183 0.110307
C -4.879112 -0.008672 -0.126021
C 2.644393 0.902481 1.565308
H -0.579619 0.370910 -1.390567
H 0.491396 -0.648789 1.331509
H 1.635016 -0.489741 -1.530137
H -2.531694 -1.023546 -1.211112
H 0.163262 2.056391 1.079963
H -0.409685 2.643867 -0.483481
H 0.379220 -2.886889 0.253813
H -0.244670 -2.194978 -1.244384
H 1.664967 1.933530 -1.617569
H 2.081452 2.906812 -0.212790
H -2.115767 -3.123180 0.088109
H -1.646487 -2.189688 1.509483
H -2.727736 1.461022 -1.400651
H -2.428796 2.493330 -0.004151
H 2.731602 -2.489307 -0.879118
H 2.779244 -2.082119 0.828714
H -4.387691 -2.109543 0.031728
H -4.020166 -1.178539 1.489130
H -2.873541 0.445429 2.297122
H -1.228740 -0.193858 2.322955
H -1.500992 1.543030 2.139468
H 4.812364 -1.323754 -1.222027
H -4.396758 1.654260 1.178185
H -4.877871 2.129711 -0.456266
H -5.899091 -0.082481 0.321413
H 3.257970 0.094127 1.986121
H 3.124136 1.855789 1.821454
H 1.676157 0.875369 2.082641
H 4.628179 -0.798614 1.572308
H -4.361178 -0.155016 -2.057139


%chk=000191817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191817

0 1
O 5.364300 -1.425058 0.082165
O -5.047210 -0.203341 -1.830963
O 4.788851 1.401560 -0.571143
C -0.497665 0.469310 -0.143226
C 0.376015 -0.724707 0.382867
C -1.983568 0.401088 0.384088
C 1.785707 -0.585720 -0.224972
C 2.473311 0.763431 0.154521
C -2.570659 -0.994993 -0.046935
C 0.184304 1.851820 0.089450
C -0.270872 -2.086996 0.031797
C 1.647724 1.929312 -0.428257
C -1.738928 -2.176365 0.500612
C -2.848758 1.499882 -0.313396
C 2.875643 -1.661367 0.033835
C -4.078317 -1.141166 0.273796
C -2.040557 0.603090 1.924083
C 3.892547 0.543013 -0.377144
C 4.129170 -0.983705 -0.559476
C -4.364716 1.377732 -0.019464
C -4.929280 -0.018876 -0.363355
C 2.689842 0.951359 1.694560
H -0.562311 0.328024 -1.249371
H 0.455964 -0.661962 1.487868
H 1.638588 -0.553676 -1.331024
H -2.465236 -1.036081 -1.158957
H 0.168754 2.101845 1.167477
H -0.401361 2.640621 -0.418075
H 0.322411 -2.909031 0.477561
H -0.233598 -2.228205 -1.070282
H 1.652561 1.862119 -1.535169
H 2.095868 2.904903 -0.161417
H -2.186649 -3.130700 0.158810
H -1.784747 -2.189580 1.608502
H -2.675711 1.445659 -1.411330
H -2.513524 2.507667 -0.003690
H 2.656704 -2.626242 -0.451392
H 3.033657 -1.847169 1.111594
H -4.442850 -2.116551 -0.102144
H -4.237686 -1.141742 1.370878
H -3.058590 0.444617 2.319210
H -1.372099 -0.090480 2.462718
H -1.744335 1.632662 2.195083
H 4.176309 -1.170377 -1.658388
H -4.556272 1.585495 1.051558
H -4.923264 2.137467 -0.597653
H -5.978064 -0.099065 -0.028048
H 3.284364 0.134399 2.139882
H 3.235204 1.896201 1.866886
H 1.728619 1.002705 2.231729
H 6.076970 -0.773856 -0.157277
H -4.142860 -0.134868 -2.230682


