%nprocshared=24
%mem=120GB
#p opt freq=(NoRaman) wB97XD/gen scrf=(smd,solvent=dmso) nosymm scf=xqc Int=Grid=UltraFine

thf

0 1
 C                  1.85086551    0.75233022    0.00000000
 C                  3.37272351    0.75233022    0.00000000
 C                  3.84149651    2.20019522    0.00000000
 C                  1.38165951    2.19665022   -0.10359000
 H                  1.45890351    0.14988522   -0.85750800
 H                  1.46075051    0.28191922    0.93750400
 H                  3.76135051    0.21773222   -0.90328000
 H                  3.76609051    0.21159822    0.89683700
 H                  4.38843151    2.43188822    0.94858800
 H                  4.55345751    2.38337122   -0.84321600
 H                  0.72928151    2.45845222    0.76707400
 H                  0.76991351    2.34427222   -1.02879300
 O                  2.61375651    3.08976322   -0.13318600

-C -P -O -H -N 0
6-31+g(d,p)
****

