%chk=000190584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190584

0 1
O 4.757867 1.005429 -0.241138
O 4.209028 -0.838090 -1.416901
O -7.920829 0.372884 -0.018584
C 0.876766 -0.394099 0.034882
C 1.973395 0.203134 0.977567
C -0.479334 0.297596 0.436232
C 0.791898 -1.916583 0.319169
C 3.351657 -0.496970 0.890125
C 2.101558 1.724543 0.801542
C 2.146081 -2.611748 0.147849
C 3.207280 -2.017787 1.080296
C -0.343714 1.798537 0.252487
C 1.157718 -0.149804 -1.450883
C 0.760724 2.414468 1.080345
C -1.688639 -0.308427 -0.302493
C -3.005929 -0.034079 0.435352
C 4.094681 -0.200474 -0.397223
C -1.101723 2.551494 -0.546934
C -4.232968 -0.541543 -0.352865
C -5.517951 0.052400 0.261059
C -4.287157 -2.073684 -0.365123
C -6.744204 -0.189360 -0.620713
C 5.537710 1.480924 -1.368182
H 1.620503 0.014325 2.027769
H -0.634006 0.114517 1.532121
H 0.410016 -2.088105 1.342831
H 0.048327 -2.379253 -0.359744
H 3.983080 -0.091778 1.728373
H 2.884698 2.126380 1.471804
H 2.445314 1.966085 -0.225067
H 2.041868 -3.695947 0.336814
H 2.490937 -2.514132 -0.905833
H 4.180373 -2.517263 0.905233
H 2.942268 -2.223933 2.135609
H 1.356104 0.907782 -1.658096
H 2.020684 -0.728934 -1.808044
H 0.307600 -0.442931 -2.075369
H 0.502231 2.339222 2.155728
H 0.853825 3.499661 0.877112
H -1.738856 0.086938 -1.336160
H -1.552160 -1.403811 -0.414597
H -2.983788 -0.502804 1.437031
H -3.103924 1.054735 0.618563
H -1.897848 2.165796 -1.163891
H -0.979100 3.617372 -0.651962
H -4.147643 -0.181620 -1.408541
H -5.388048 1.139009 0.427031
H -5.698230 -0.377222 1.266312
H -5.117519 -2.444143 -0.975174
H -4.415295 -2.482598 0.643303
H -3.365206 -2.500994 -0.775374
H -6.624197 0.235249 -1.632739
H -7.006535 -1.261822 -0.696298
H 6.147869 0.668764 -1.778333
H 6.152097 2.271056 -0.925488
H 4.854102 1.870941 -2.127833
H -7.812354 1.331797 0.122444


%chk=000190584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190584

0 1
O 4.947646 1.083489 -0.163861
O 4.452413 -0.869169 -1.315520
O -8.058187 0.443043 0.370489
C 0.902022 -0.428518 -0.031457
C 1.979875 0.249445 0.899629
C -0.500075 0.233959 0.348076
C 0.873773 -1.951135 0.317412
C 3.402842 -0.422402 0.909769
C 2.041992 1.784708 0.735677
C 2.259812 -2.630864 0.245325
C 3.282387 -1.946090 1.176005
C -0.421521 1.758182 0.177781
C 1.173581 -0.235900 -1.546263
C 0.656977 2.416573 1.024823
C -1.728262 -0.412567 -0.344554
C -3.052334 -0.119691 0.405436
C 4.273530 -0.138357 -0.312079
C -1.190519 2.492810 -0.669235
C -4.339575 -0.468732 -0.389721
C -5.590068 0.017670 0.393525
C -4.423651 -1.979617 -0.719441
C -6.911748 -0.087585 -0.389097
C 5.836776 1.464364 -1.288720
H 1.611054 0.060653 1.936001
H -0.615808 0.046639 1.443429
H 0.463193 -2.073348 1.343904
H 0.185801 -2.483273 -0.366286
H 3.941431 0.052510 1.753370
H 2.801236 2.202429 1.424591
H 2.367560 2.055545 -0.285850
H 2.157749 -3.695446 0.533415
H 2.643883 -2.615995 -0.789927
H 4.272137 -2.430282 1.078255
H 2.958948 -2.076891 2.229194
H 1.173438 0.831470 -1.828999
H 2.132927 -0.677957 -1.858035
H 0.376298 -0.727313 -2.134178
H 0.422716 2.268908 2.101370
H 0.685422 3.506638 0.842286
H -1.808671 -0.058083 -1.391360
H -1.584034 -1.505747 -0.400500
H -3.057533 -0.681909 1.363606
H -3.082819 0.954971 0.671728
H -1.963763 2.050599 -1.306124
H -1.060282 3.579204 -0.748803
H -4.299630 0.089987 -1.352306
H -5.434867 1.080933 0.680449
H -5.686449 -0.555557 1.337513
H -5.308288 -2.218251 -1.337133
H -4.489595 -2.576330 0.211335
H -3.533836 -2.319658 -1.278278
H -6.816697 0.431551 -1.369119
H -7.186145 -1.137721 -0.578994
H 6.623030 0.703429 -1.427965
H 6.266981 2.430989 -0.991420
H 5.256725 1.555998 -2.222582
H -7.858699 1.378795 0.628819


