%chk=000292829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292829

0 1
O -4.157868 2.566392 -0.600124
O -4.860348 1.969886 1.436002
C 0.679332 0.225404 -0.346272
C -0.583777 -0.395921 0.265060
C 1.951716 -0.374776 0.266892
C -1.854829 0.206957 -0.346849
C 3.215100 0.245330 -0.345152
C -3.115225 -0.429484 0.250784
C 4.487692 -0.354486 0.268033
C -4.401164 0.233659 -0.277004
C 5.751290 0.265174 -0.344064
C 7.023603 -0.334507 0.269294
C -5.659063 -0.574012 0.092335
C 8.288540 0.284506 -0.342037
C -4.520079 1.616790 0.333107
C -5.710027 -1.890901 -0.624284
C 9.558087 -0.308650 0.265063
C -6.081402 -3.028556 -0.041148
H 0.682079 0.072851 -1.442838
H 0.670489 1.322308 -0.195127
H -0.574393 -1.492671 0.113511
H -0.584011 -0.243047 1.362024
H 1.960967 -1.471681 0.117468
H 1.950432 -0.220222 1.363254
H -1.867764 1.304069 -0.187083
H -1.846556 0.069915 -1.445968
H 3.217148 0.091250 -1.441440
H 3.206520 1.342242 -0.195309
H -3.088517 -0.377141 1.358169
H -3.142973 -1.511996 0.009147
H 4.496719 -1.451414 0.118866
H 4.486330 -0.199819 1.364293
H -4.334480 0.335814 -1.392454
H 5.742554 1.362095 -0.194658
H 5.753058 0.110547 -1.440259
H 7.033986 -1.431358 0.120853
H 7.023444 -0.180524 1.365461
H -5.706237 -0.708909 1.195092
H -6.573137 0.005910 -0.165146
H 8.280445 1.381908 -0.192274
H 8.291150 0.129241 -1.438680
H -5.434414 -1.851943 -1.680209
H 9.616315 -1.390689 0.101366
H 10.455059 0.138827 -0.177290
H 9.605808 -0.138447 1.346635
H -4.207518 3.493844 -0.248401
H -6.137955 -3.971110 -0.566609
H -6.359826 -3.111652 0.999569


%chk=000292829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292829

0 1
O -5.401076 2.485487 -0.661248
O -4.220904 2.168061 1.309991
C 0.696291 0.250580 -0.334887
C -0.598806 -0.364361 0.241388
C 1.983430 -0.372762 0.250528
C -1.883908 0.279986 -0.324871
C 3.278811 0.237171 -0.330899
C -3.171600 -0.357283 0.243701
C 4.566530 -0.377360 0.262708
C -4.469894 0.283288 -0.295424
C 5.861866 0.230841 -0.321051
C 7.150084 -0.379993 0.275408
C -5.752016 -0.537565 0.097333
C 8.445150 0.228408 -0.309942
C -4.639457 1.703066 0.226916
C -5.821074 -1.868679 -0.620433
C 9.727258 -0.386464 0.292164
C -5.891439 -3.082241 -0.018315
H 0.700121 0.130376 -1.438724
H 0.698858 1.343719 -0.141561
H -0.610907 -1.455172 0.034431
H -0.595564 -0.256615 1.345948
H 1.978509 -1.467395 0.064615
H 1.981918 -0.245475 1.353399
H -1.874388 1.364605 -0.094308
H -1.883155 0.188696 -1.431641
H 3.283793 0.103776 -1.433189
H 3.279921 1.332805 -0.151262
H -3.166555 -0.270728 1.348101
H -3.190626 -1.437094 0.000539
H 4.564705 -1.473502 0.085914
H 4.562575 -0.241227 1.364595
H -4.436223 0.343640 -1.401008
H 5.862168 1.327394 -0.146634
H 5.867164 0.092316 -1.422738
H 7.151225 -1.476718 0.102056
H 7.146874 -0.240497 1.376936
H -5.765837 -0.689270 1.193033
H -6.644617 0.063393 -0.169858
H 8.442377 1.324144 -0.136969
H 8.447616 0.088210 -1.410366
H -5.825150 -1.814716 -1.721070
H 9.768372 -1.476579 0.106703
H 10.637980 0.064967 -0.143043
H 9.763653 -0.232306 1.387309
H -5.530956 3.391284 -0.267485
H -5.958970 -4.008893 -0.599463
H -5.887827 -3.182314 1.074271


