%chk=000183755.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183755

0 1
O -3.414771 -3.060751 0.953646
O -2.148374 3.245123 -0.292906
O 0.383579 3.329555 0.421611
O 0.713420 -2.495338 -0.849737
O 3.458009 -2.208422 -0.297026
C -1.943000 0.792892 0.147578
C -1.166901 -0.428904 -0.462726
C -3.501502 0.679670 0.153327
C -1.641881 -1.691705 0.285364
C -3.922311 -0.687057 0.758484
C -3.155732 -1.870025 0.169722
C -1.394313 2.063202 -0.537374
C 0.348892 -0.233838 -0.276494
C -1.365802 -0.596170 -1.979111
C -4.085493 1.765685 1.084326
C -4.114498 0.862549 -1.241794
C 0.897459 1.044655 -0.039033
C 0.037871 2.249542 -0.013518
C 1.257027 -1.306219 -0.410022
C 2.268932 1.236689 0.174589
C 2.644580 -1.103268 -0.192164
C 3.162559 0.167058 0.119125
C 4.645887 0.356437 0.363806
C 4.899126 0.866109 1.785536
C 5.255060 1.288039 -0.688134
C 1.417284 -3.726907 -0.537505
H -1.658315 0.831302 1.233419
H -1.347555 -1.653463 1.351751
H -1.146837 -2.606322 -0.110408
H -5.009979 -0.826736 0.626328
H -3.760120 -0.673130 1.855817
H -3.471482 -2.091161 -0.873297
H -1.418300 1.970749 -1.650913
H -2.429888 -0.684820 -2.244111
H -0.956445 0.246493 -2.546060
H -0.859561 -1.506261 -2.334382
H -3.638932 1.744678 2.081155
H -3.909539 2.770633 0.669092
H -5.167127 1.654426 1.200404
H -5.206924 0.806129 -1.211225
H -3.857030 1.848949 -1.651773
H -3.762693 0.102472 -1.951957
H -4.369659 -3.216012 1.044768
H -1.707519 3.808995 0.396560
H 2.634201 2.247457 0.386663
H 5.152149 -0.650669 0.264552
H 4.418439 -1.956772 -0.110402
H 4.480006 1.868366 1.939641
H 5.971000 0.927896 2.003047
H 4.441769 0.209933 2.535297
H 5.047197 0.936006 -1.705408
H 6.342149 1.362170 -0.574628
H 4.852779 2.305900 -0.612716
H 2.301105 -3.811263 -1.180859
H 0.662810 -4.482473 -0.786157
H 1.691496 -3.763373 0.519335


%chk=000183755-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183755

0 1
O -3.499527 -3.256889 0.504043
O -2.167489 3.294535 -0.026673
O 0.379563 3.367379 0.629809
O 0.919873 -2.495978 -1.013241
O 3.568056 -2.121502 -0.422925
C -1.968245 0.749548 0.173017
C -1.157994 -0.427049 -0.540962
C -3.543412 0.633944 0.201849
C -1.676711 -1.769430 0.064438
C -3.940565 -0.813232 0.639474
C -3.191277 -1.933008 -0.087697
C -1.415752 2.099401 -0.373736
C 0.362124 -0.232758 -0.262766
C -1.287288 -0.483948 -2.101774
C -4.115627 1.573514 1.307320
C -4.225475 1.024092 -1.138821
C 0.880633 1.050665 0.112763
C 0.010617 2.239780 0.161142
C 1.318423 -1.275290 -0.437381
C 2.254747 1.246402 0.405148
C 2.702238 -1.044720 -0.170895
C 3.192987 0.212540 0.286824
C 4.693175 0.416678 0.527813
C 5.004765 1.557132 1.523980
C 5.434262 0.658096 -0.822084
C 1.178915 -3.745894 -0.258963
H -1.668811 0.681720 1.243703
H -1.435780 -1.816105 1.145523
H -1.186445 -2.618018 -0.429783
H -5.037331 -0.926588 0.505892
H -3.732557 -0.933520 1.722427
H -3.471182 -1.949326 -1.162310
H -1.371927 2.044306 -1.481762
H -2.331884 -0.581942 -2.434174
H -0.859101 0.407477 -2.593435
H -0.727618 -1.363229 -2.464228
H -3.613005 1.394855 2.277405
H -3.974796 2.629884 1.037387
H -5.195563 1.368021 1.443110
H -5.323467 1.039606 -1.000511
H -3.917357 2.037671 -1.449010
H -4.008003 0.323991 -1.963213
H -4.482636 -3.384046 0.491960
H -1.492440 3.931489 0.355767
H 2.556728 2.252018 0.711918
H 5.107169 -0.511499 0.988146
H 4.501343 -1.873081 -0.205666
H 4.729908 2.541775 1.104790
H 6.087193 1.582663 1.744193
H 4.459568 1.425106 2.475087
H 5.242081 -0.142770 -1.560483
H 6.525902 0.728751 -0.662342
H 5.091343 1.607489 -1.271174
H 2.260609 -3.909417 -0.136010
H 0.734374 -4.541889 -0.875240
H 0.674968 -3.710702 0.725436


