%nprocshared=8
%mem=20GB
#p PBEPBE/gen scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3BJ Int=Grid=UltraFine

HE

0 2
 C                  0.62956800    1.36896700    1.78262600
 C                  1.07532400    2.37763500    0.91372000
 C                 -1.16816100    2.49479800   -0.15507100
 C                 -1.60360100    1.48007100    0.70883500
 C                  2.48046200    2.89372400    0.92511900
 C                 -1.97944800    3.13730200   -1.19180300
 C                  1.35302200    0.66885400    2.88669400
 H                  1.61239300   -0.37519400    2.61943600
 H                  2.28729700    1.18297700    3.14466900
 H                  0.72474000    0.62428900    3.79665800
 C                 -2.96996900    0.85990100    0.76171700
 H                 -3.74085000    1.62343900    0.94717900
 H                 -3.22281200    0.38591400   -0.19915800
 H                 -3.02375100    0.09959600    1.55684200
 O                 -3.25860600    2.64983000   -1.30653400
 O                  3.39292300    1.91115900    1.13194200
 O                  2.78430900    4.06948200    0.72614800
 O                 -1.55414600    4.04929300   -1.92237200
 C                  4.79289200    2.33379100    1.13872700
 H                  5.00944400    2.83345200    0.18004100
 H                  4.92999100    3.07023700    1.94834200
 C                 -4.07613400    3.26928500   -2.33483200
 H                 -4.16687500    4.34815600   -2.11983700
 H                 -3.56904300    3.16095500   -3.30915600
 C                  5.64481800    1.09708300    1.34153100
 H                  6.70855300    1.38810200    1.34399900
 H                  5.42216500    0.60676700    2.30347300
 H                  5.49217600    0.36755100    0.52933400
 C                 -5.42680900    2.57788200   -2.32291300
 H                 -5.92773200    2.69176800   -1.34697400
 H                 -6.07472500    3.02755100   -3.09400700
 H                 -5.32838800    1.50194500   -2.54371700
 N                 -0.71689200    0.98009800    1.61869400
 H                 -1.06162400    0.25640700    2.25114300
 C                  0.20633700    2.95566300   -0.02360000
 H                  0.55812400    3.74603900   -0.68679800

-C -P -O -H -N 0
6-311++g(d,p)
****

