%chk=000186556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186556

0 1
O -3.787979 -1.647672 -0.989961
O -5.578456 0.453105 -0.147895
C -3.400321 -0.683836 0.014481
C -4.184026 0.572152 -0.469078
C -1.894454 -0.454133 -0.019442
C -1.347602 0.840447 -0.007680
C -3.695145 1.815044 0.270306
C -2.222286 2.067020 -0.053483
C 0.060247 1.001733 0.004906
C 0.901973 -0.143557 -0.006476
C -1.060564 -1.579418 -0.028764
C -3.836925 -1.178510 1.391247
C 0.332045 -1.446917 -0.026889
C 2.340791 0.002189 -0.000823
C 0.697344 2.309121 0.027750
C 2.925145 1.297578 0.018160
C 3.177731 -1.149152 -0.015766
C 1.211503 -2.604168 -0.042242
C 2.044803 2.451186 0.033896
C 2.558147 -2.464109 -0.036731
C 4.324237 1.426806 0.022316
C 4.571787 -0.988489 -0.010964
C 5.134504 0.290650 0.007938
H -4.089341 0.664897 -1.575656
H -3.851075 1.691097 1.360931
H -4.317830 2.686874 -0.013321
H -1.832589 2.839727 0.644471
H -2.138182 2.510796 -1.071913
H -1.502128 -2.576020 -0.039914
H -4.933197 -1.153873 1.484123
H -3.505960 -2.202054 1.587571
H -3.434833 -0.543232 2.190479
H 0.053119 3.189328 0.043758
H -3.370795 -2.516019 -0.840206
H -5.941473 -0.351821 -0.583919
H 0.745392 -3.589053 -0.059158
H 2.508227 3.437551 0.051476
H 3.218627 -3.330822 -0.048541
H 4.776841 2.416710 0.036560
H 5.218822 -1.863954 -0.022453
H 6.218775 0.401297 0.011206


%chk=000186556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186556

0 1
O -3.855052 -1.736430 -0.943407
O -5.621150 0.402594 -0.393707
C -3.429631 -0.686768 0.031768
C -4.171128 0.563791 -0.501749
C -1.909387 -0.458088 -0.006298
C -1.356445 0.853659 0.037771
C -3.752282 1.811823 0.270171
C -2.248800 2.095873 0.048399
C 0.069984 1.011739 0.027158
C 0.930392 -0.145581 -0.006171
C -1.059338 -1.585801 -0.046701
C -3.888109 -1.108026 1.446394
C 0.349608 -1.464204 -0.044171
C 2.361109 0.000227 -0.010738
C 0.701302 2.317746 0.042467
C 2.955085 1.313562 0.015046
C 3.211159 -1.166315 -0.043797
C 1.221953 -2.619238 -0.080625
C 2.077786 2.461443 0.038273
C 2.596682 -2.477301 -0.077891
C 4.371221 1.440227 0.012157
C 4.621715 -0.996206 -0.044894
C 5.193575 0.294632 -0.016411
H -3.882614 0.663686 -1.572041
H -3.975028 1.670343 1.343500
H -4.356956 2.669574 -0.073017
H -1.900799 2.804861 0.823629
H -2.119996 2.621507 -0.921043
H -1.490480 -2.593321 -0.097142
H -4.988667 -1.177721 1.483600
H -3.444706 -2.085939 1.716277
H -3.557505 -0.384358 2.210924
H 0.074636 3.214029 0.052297
H -3.705670 -2.631999 -0.549253
H -5.839490 -0.447342 -0.859502
H 0.766138 -3.615999 -0.110959
H 2.527601 3.461455 0.050703
H 3.248692 -3.358257 -0.104474
H 4.819378 2.440472 0.031367
H 5.266858 -1.882332 -0.069427
H 6.283257 0.406481 -0.018183


