%chk=000111648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111648

0 1
O 4.365946 0.585359 -0.041773
C -1.307612 0.785414 0.023843
C 0.863043 -0.150750 0.613920
C -1.821303 -0.520641 -0.149730
C 0.029154 0.957442 0.403303
C 0.353564 -1.442979 0.440123
C -0.979822 -1.620413 0.062110
C 2.294297 0.054657 1.009952
C -2.175153 1.983506 -0.192553
C -3.243779 -0.739220 -0.553477
C 3.182519 0.371605 -0.174817
H 0.424430 1.962261 0.540052
H 0.988550 -2.311604 0.599372
H -1.366744 -2.630453 -0.068469
H 2.386758 0.867753 1.764979
H 2.702354 -0.833857 1.541624
H -1.642640 2.928827 -0.026575
H -2.568422 2.011076 -1.218959
H -3.039001 1.977192 0.487870
H -3.937740 -0.307328 0.181842
H -3.459977 -0.269344 -1.523588
H -3.497628 -1.802902 -0.648110
H 2.688305 0.395399 -1.158539


%chk=000111648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111648

0 1
O 4.287019 -0.531916 -0.269879
C -1.354921 0.810454 0.052941
C 0.884097 -0.063830 0.659444
C -1.816698 -0.521927 -0.177466
C -0.015096 1.013471 0.464165
C 0.418684 -1.380264 0.423297
C -0.914496 -1.597275 0.014350
C 2.334574 0.180537 1.060522
C -2.284960 1.996049 -0.132540
C -3.245967 -0.787164 -0.615067
C 3.245013 0.155777 -0.169435
H 0.331340 2.039062 0.648836
H 1.095229 -2.232139 0.561882
H -1.264376 -2.621942 -0.160049
H 2.433801 1.183442 1.523714
H 2.703102 -0.568167 1.783072
H -1.770294 2.947852 0.082569
H -2.675544 2.049057 -1.167147
H -3.166084 1.930132 0.534613
H -3.976480 -0.404949 0.124036
H -3.478249 -0.288940 -1.576257
H -3.429758 -1.867340 -0.742912
H 2.899164 0.811019 -1.010290


