%chk=000198259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198259

0 1
O 1.423744 -0.770936 -0.178266
O -0.121350 0.312583 1.547491
O -1.809061 2.090387 -1.070966
O -3.082325 -0.050026 0.724479
O 2.394313 1.124423 -0.950737
C -0.692041 0.380212 0.249261
C 0.171967 -0.390383 -0.801942
C -2.045070 -0.420144 0.250284
C -0.853526 1.882971 -0.033759
C -0.574048 -1.682626 -1.066757
C -1.786793 -1.688793 -0.500164
C 2.500137 0.112720 -0.308706
C 3.651043 -0.447278 0.441228
H 0.364021 0.206915 -1.722491
H 0.083759 2.320220 -0.438520
H -1.144750 2.416464 0.891181
H -0.105205 -2.459575 -1.654388
H -2.541983 -2.460493 -0.538457
H 0.418073 -0.514661 1.648702
H -2.724670 1.993500 -0.714461
H 3.475833 -1.478608 0.788962
H 3.874182 0.168580 1.329876
H 4.561351 -0.451452 -0.181951


%chk=000198259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198259

0 1
O 1.468023 -0.289185 0.161330
O -0.537392 0.050185 1.828587
O -1.633035 2.280490 -0.979247
O -3.331425 -0.054657 0.327978
O 2.577087 -0.541148 -1.872949
C -0.875966 0.407191 0.443082
C 0.169197 -0.158126 -0.563282
C -2.153464 -0.417594 0.079609
C -1.119441 1.921297 0.350447
C -0.395183 -1.497653 -1.003370
C -1.706225 -1.633079 -0.647680
C 2.629000 -0.450434 -0.630936
C 3.860437 -0.482162 0.242551
H 0.309030 0.520264 -1.425221
H -0.172821 2.475222 0.467051
H -1.816167 2.211811 1.159022
H 0.199559 -2.204642 -1.587853
H -2.373844 -2.461953 -0.892600
H 0.445810 -0.104312 1.861192
H -2.600813 2.067403 -1.005435
H 3.733450 -1.203841 1.066854
H 4.025806 0.511777 0.695178
H 4.735978 -0.752854 -0.364410


