%chk=000231698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231698

0 1
O -0.539076 0.847236 1.734489
O -0.154484 3.026415 -1.004855
O 1.537833 2.711625 0.416139
C -0.921755 0.333484 0.435843
C -2.220870 1.056836 0.032877
C -1.021807 -1.199999 0.518930
C 0.269731 0.763453 -0.489339
C -3.015983 0.367447 -1.079296
C -2.352601 -1.732264 1.060240
C -4.036500 -0.645462 -0.542866
C -3.400948 -1.946607 -0.040300
C 1.485507 -0.121726 -0.337387
C 0.666702 2.205801 -0.241409
C 1.911439 -0.911814 -1.414208
C 2.186205 -0.158020 0.878328
C 3.032021 -1.736129 -1.271145
C 3.305063 -0.981386 1.013733
C 3.728818 -1.772961 -0.059779
H -1.982200 2.099245 -0.275313
H -2.855075 1.179545 0.933256
H -0.189569 -1.564678 1.159779
H -0.824501 -1.641943 -0.478646
H -0.115740 0.698538 -1.546474
H -2.333186 -0.125903 -1.796679
H -3.552405 1.140797 -1.666103
H -2.755886 -1.059363 1.839993
H -2.166876 -2.699865 1.569699
H -4.764037 -0.886548 -1.343597
H -4.631744 -0.182110 0.268141
H -4.199770 -2.611975 0.344038
H -2.944408 -2.491649 -0.889719
H -1.106217 0.488437 2.440734
H 1.380145 -0.885973 -2.363053
H 1.847635 0.474337 1.706728
H 3.363467 -2.347852 -2.108239
H 3.851046 -1.002540 1.955680
H 0.056433 3.988884 -0.888078
H 4.602295 -2.413015 0.047361


%chk=000231698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231698

0 1
O -0.565490 0.933487 1.826237
O -0.116136 3.086111 -1.079940
O 1.547831 2.725917 0.488162
C -0.934745 0.375646 0.495551
C -2.255298 1.057872 0.035084
C -1.040931 -1.172549 0.585767
C 0.277080 0.779283 -0.443133
C -3.024199 0.362337 -1.119658
C -2.387052 -1.741386 1.107581
C -4.047592 -0.692802 -0.629155
C -3.438672 -1.971340 -0.008116
C 1.510297 -0.113538 -0.313035
C 0.661416 2.250868 -0.245224
C 1.922914 -0.894721 -1.420497
C 2.255198 -0.183190 0.893110
C 3.053120 -1.739700 -1.331215
C 3.382780 -1.027685 0.983617
C 3.786016 -1.809783 -0.125065
H -2.024141 2.101085 -0.237918
H -2.930840 1.110801 0.913656
H -0.207719 -1.509925 1.228490
H -0.845581 -1.614194 -0.411194
H -0.112524 0.695031 -1.474393
H -2.316856 -0.099037 -1.839607
H -3.572977 1.136154 -1.690271
H -2.816575 -1.097029 1.904734
H -2.181203 -2.716957 1.589875
H -4.699487 -0.991041 -1.475061
H -4.710518 -0.205372 0.116002
H -4.264940 -2.591857 0.393879
H -2.959282 -2.573310 -0.808010
H -1.247980 0.641820 2.483369
H 1.360749 -0.838535 -2.361843
H 1.943289 0.429418 1.743023
H 3.360359 -2.335769 -2.198100
H 3.952157 -1.072609 1.919110
H 0.162059 4.030306 -0.925321
H 4.664172 -2.461510 -0.050987


