%chk=000230232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230232

0 1
O -5.055904 1.075217 0.542712
O -5.225691 -0.394523 -1.125770
O 1.855355 0.673998 -2.333437
O 1.991608 -2.502657 1.716776
O 3.638985 0.817729 0.019874
O 2.697758 -2.820961 -0.914360
C -2.654963 1.156409 0.894956
C -2.993504 0.054288 -0.136918
C -4.030904 1.641809 1.409768
C -1.850907 2.317785 0.282672
C -2.644054 -1.369917 0.324228
C -4.501478 0.161981 -0.347449
C -0.389941 1.971349 0.178386
C -1.214969 -1.731080 0.022998
C 0.135762 1.477756 -1.015177
C 0.441703 2.139055 1.302654
C -0.279032 -1.854311 1.061534
C -0.828731 -1.976168 -1.306764
C 1.500295 1.127377 -1.093216
C 1.789158 1.797872 1.232828
C 1.026562 -2.230561 0.749568
C 0.479017 -2.343451 -1.625985
C 2.322963 1.281627 0.044455
C 1.411595 -2.466289 -0.589724
C 3.149589 0.031608 -2.489332
C 2.555249 -1.318209 2.341171
C 4.636714 1.867490 0.129468
H -2.067084 0.723020 1.738997
H -2.482601 0.257297 -1.112044
H -4.187015 2.730536 1.349988
H -4.268153 1.279915 2.423093
H -1.972549 3.231168 0.903323
H -2.265261 2.596788 -0.708452
H -3.315496 -2.099556 -0.188378
H -2.867701 -1.492517 1.403234
H -0.481839 1.344236 -1.901997
H 0.031620 2.534077 2.228292
H -0.555455 -1.677377 2.098005
H -1.562942 -1.883987 -2.108179
H 2.438535 1.922960 2.097859
H 0.784638 -2.527218 -2.654193
H 3.233717 -2.947776 -0.073372
H 3.086570 -0.345205 -3.516388
H 3.946276 0.768674 -2.370934
H 3.255031 -0.790054 -1.766456
H 1.768206 -0.719071 2.804789
H 3.223353 -1.749748 3.093908
H 3.109423 -0.734047 1.593595
H 5.573684 1.308183 0.028193
H 4.570181 2.352918 1.106099
H 4.515224 2.591859 -0.680499


%chk=000230232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230232

0 1
O -4.810425 1.262362 0.286648
O -4.711385 0.180905 -1.766171
O 2.214278 1.416544 -2.297510
O 2.088559 -2.339505 1.665006
O 3.966733 1.498722 0.061025
O 2.716054 -3.342837 -0.727070
C -2.485693 1.073157 0.984548
C -2.733439 0.131121 -0.227148
C -3.928140 1.359638 1.485263
C -1.729464 2.385232 0.602422
C -2.651891 -1.407373 0.083480
C -4.152546 0.494819 -0.703592
C -0.233264 2.173939 0.419112
C -1.246410 -1.965516 -0.089644
C 0.336046 1.914230 -0.850836
C 0.624605 2.189124 1.550836
C -0.283622 -1.888644 0.953674
C -0.864484 -2.531684 -1.330637
C 1.717880 1.663463 -0.998662
C 2.011924 1.974260 1.411002
C 1.026782 -2.352441 0.736846
C 0.451176 -3.002697 -1.549306
C 2.573291 1.722290 0.140138
C 1.402629 -2.906699 -0.520163
C 2.817105 0.070936 -2.485115
C 1.866261 -1.671829 2.948363
C 4.706875 2.459305 -0.792559
H -1.907750 0.561913 1.775499
H -2.035674 0.336269 -1.056938
H -4.060488 2.373457 1.895808
H -4.280191 0.611925 2.219341
H -1.892078 3.120994 1.414236
H -2.183545 2.813987 -0.311846
H -3.333703 -1.929609 -0.612548
H -3.031421 -1.588373 1.108293
H -0.280720 1.893808 -1.756652
H 0.207797 2.403409 2.543004
H -0.564786 -1.464445 1.923540
H -1.601626 -2.604416 -2.138403
H 2.689471 2.024615 2.270178
H 0.748803 -3.446209 -2.504160
H 3.230798 -3.182156 0.108752
H 3.198619 0.065374 -3.517192
H 3.638049 -0.099862 -1.765938
H 2.043957 -0.707807 -2.359950
H 1.079653 -2.188796 3.531271
H 2.825755 -1.736151 3.482069
H 1.591475 -0.611801 2.791238
H 5.750529 2.110330 -0.785853
H 4.645287 3.475111 -0.358161
H 4.304953 2.467910 -1.821141


