%chk=000188456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188456

0 1
O 2.250531 0.425269 1.596805
O -1.117907 -2.886529 0.433031
O -0.353434 3.040104 0.955982
C 1.017357 -0.682993 -0.121486
C 2.004502 0.479724 0.176682
C -0.402433 -0.500413 0.506628
C 3.379293 0.284941 -0.576366
C 1.667474 -2.013447 0.297632
C -1.359435 -1.580741 -0.108924
C 1.388680 1.854779 -0.147572
C 3.965550 -1.093952 -0.187034
C -0.939173 0.876816 0.153550
C 2.987044 -2.244202 -0.444891
C -2.840749 -1.243094 0.101661
C -0.006458 2.020540 0.401450
C -0.392040 -0.618438 2.036829
C -3.221881 0.085205 -0.589968
C 3.183639 0.371196 -2.098123
C 4.374873 1.377381 -0.138149
C -2.170481 1.138947 -0.299679
C -3.300825 -0.083761 -2.118447
C -4.554721 0.543051 -0.016680
C -5.737071 0.048296 -0.373289
H 0.877372 -0.693373 -1.234098
H 0.972245 -2.857907 0.107989
H 1.853820 -2.000107 1.391130
H -1.135645 -1.740026 -1.188998
H 1.356769 2.012541 -1.246483
H 2.032690 2.669103 0.243892
H 4.228189 -1.079707 0.890778
H 4.909020 -1.269285 -0.733982
H 3.438564 -3.198742 -0.112363
H 2.804459 -2.361556 -1.529712
H -3.464998 -2.073362 -0.280471
H -3.066057 -1.181645 1.183831
H -1.321793 -0.247907 2.480541
H -0.237606 -1.652815 2.365123
H 0.434130 -0.025311 2.468172
H 2.485824 -0.393424 -2.460342
H 2.800319 1.348458 -2.410143
H 4.132147 0.213158 -2.624326
H 5.377312 1.178076 -0.534815
H 4.084700 2.369060 -0.500120
H 4.466117 1.428819 0.953738
H -2.486630 2.167182 -0.500741
H 2.915833 1.093010 1.863749
H -1.169381 -2.873965 1.414887
H -3.971497 -0.904464 -2.396171
H -3.681406 0.824856 -2.598818
H -2.318958 -0.302879 -2.550826
H -4.475626 1.313782 0.753807
H -6.669103 0.380219 0.062641
H -5.871947 -0.719266 -1.121712


%chk=000188456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188456

0 1
O 2.214852 0.602192 1.617026
O -1.052379 -3.063036 0.216661
O -0.475345 3.115607 0.648093
C 1.090608 -0.746297 -0.072698
C 2.016007 0.502899 0.142497
C -0.389517 -0.604919 0.490452
C 3.435332 0.320819 -0.560452
C 1.810632 -2.030933 0.423788
C -1.324859 -1.670292 -0.199788
C 1.324710 1.803683 -0.327172
C 4.076174 -1.012196 -0.067814
C -0.967377 0.786590 0.155417
C 3.166530 -2.236639 -0.281852
C -2.828628 -1.394201 0.019073
C -0.074272 1.987412 0.240272
C -0.443006 -0.773938 2.040892
C -3.309640 -0.024855 -0.543873
C 3.316379 0.308772 -2.111642
C 4.403142 1.475887 -0.175947
C -2.247263 1.027617 -0.256684
C -3.529633 -0.109742 -2.080098
C -4.583464 0.396107 0.196539
C -5.790643 0.693740 -0.344628
H 0.973399 -0.835895 -1.174969
H 1.151259 -2.898223 0.260065
H 1.992358 -1.941293 1.510992
H -1.098292 -1.687717 -1.281909
H 1.214611 1.780048 -1.430007
H 1.920326 2.699102 -0.075272
H 4.288471 -0.917879 1.015328
H 5.048521 -1.148358 -0.582879
H 3.659141 -3.142499 0.121648
H 3.009362 -2.422223 -1.363793
H -3.400304 -2.214844 -0.451235
H -3.043360 -1.436275 1.106268
H -1.473826 -0.644632 2.416484
H -0.072794 -1.768820 2.347175
H 0.203645 -0.026316 2.524121
H 2.582744 -0.427009 -2.483143
H 3.037720 1.301091 -2.510680
H 4.296592 0.044814 -2.551071
H 5.377349 1.313771 -0.673261
H 4.037166 2.468752 -0.495062
H 4.606510 1.502909 0.911478
H -2.538411 2.072004 -0.435975
H 2.682150 1.453638 1.812220
H -1.343719 -3.166785 1.158590
H -4.350486 -0.812012 -2.314475
H -3.785604 0.878065 -2.504070
H -2.615266 -0.466903 -2.584993
H -4.462437 0.465907 1.289547
H -6.633898 0.989541 0.289563
H -5.980070 0.654962 -1.422949


