%chk=000179778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179778

0 1
O -1.616742 -1.361989 0.015909
O 2.892550 0.185301 0.039667
C -3.098568 -1.158326 0.036155
C -1.185154 1.035488 0.116208
C -3.500172 0.284183 0.105443
C -0.761478 -0.313441 0.053181
C -3.522970 -1.935139 1.280341
C -3.542519 -1.817798 -1.267543
C -2.614524 1.290524 0.141788
C -0.195103 2.048916 0.150770
C 0.597809 -0.683456 0.024070
C 1.155898 1.710281 0.122917
C 1.531693 0.349940 0.060043
C -0.585715 3.489912 0.217391
C 3.409633 -1.188394 -0.024834
C 4.843340 -1.035926 -0.032010
C 6.041044 -0.905356 -0.037848
H -4.573243 0.452978 0.123874
H -3.060593 -2.930764 1.297312
H -3.203219 -1.420116 2.195317
H -4.608429 -2.063501 1.327467
H -3.235392 -1.221227 -2.136129
H -3.082209 -2.807858 -1.382458
H -4.628784 -1.940827 -1.310207
H -2.940891 2.329850 0.191823
H 0.855378 -1.732624 -0.023969
H 1.935165 2.466618 0.148359
H -1.193983 3.779313 -0.652046
H -1.175006 3.702395 1.121409
H 0.282517 4.163324 0.237304
H 3.048791 -1.739273 0.869582
H 3.031190 -1.660115 -0.956444
H 7.069487 -0.798397 -0.043144


%chk=000179778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179778

0 1
O -1.585727 -1.376893 0.014500
O 2.985827 0.287741 0.047687
C -3.094240 -1.212799 0.032590
C -1.182335 1.063250 0.116380
C -3.513326 0.245370 0.099495
C -0.719926 -0.280403 0.054015
C -3.567922 -1.991384 1.280424
C -3.587628 -1.880496 -1.270712
C -2.629818 1.281834 0.137443
C -0.217912 2.118740 0.155499
C 0.655471 -0.599875 0.028623
C 1.155762 1.808907 0.131089
C 1.588132 0.460205 0.067585
C -0.659329 3.571600 0.224098
C 3.472481 -1.107184 -0.023315
C 4.937005 -1.097419 -0.037562
C 6.167316 -1.135960 -0.052023
H -4.595508 0.421923 0.116588
H -3.209845 -3.034684 1.230899
H -3.173887 -1.524395 2.198431
H -4.672082 -1.998766 1.334880
H -3.208080 -1.335471 -2.151051
H -3.229328 -2.923778 -1.317573
H -4.692502 -1.884374 -1.308180
H -3.005055 2.309458 0.185310
H 0.939459 -1.653599 -0.019640
H 1.913349 2.597202 0.160175
H -1.277727 3.852057 -0.649492
H -1.262611 3.772090 1.129695
H 0.213073 4.244857 0.246888
H 3.101475 -1.676249 0.854444
H 3.083551 -1.590673 -0.943642
H 7.241688 -1.156336 -0.063848


