%nproc=4%mem=3200MB#p SCRF(PCM,Solvent=Heptane) pop=(full,NBO) Int=SuperFineGrid  B97D/genecp nosymm Title Card Required0 2 C                  1.36762200    0.84927200   -0.02777400 H                  1.78310700   -0.17164900   -0.05291100 H                  1.75231000    1.40142700   -0.90175000 H                  0.27302300    0.76722200   -0.13087000 C                  1.74615700    1.55942200    1.28651200 H                  2.84962900    1.55730000    1.36011800 C                  1.19609500    0.77344100    2.49335800 H                  1.59312000   -0.25488600    2.49274200 H                  1.47358400    1.24526900    3.44900100 C                  1.31480400    3.05447900    1.27592300 H                  1.72457800    3.48713500    0.34427500 C                  1.92818000    3.83140500    2.45706200 H                  3.02280600    3.70007300    2.49223400 H                  1.71135800    4.90884400    2.36959500 H                  1.51187700    3.48359900    3.41686500 C                 -0.21431200    3.24885400    1.24805200 H                 -0.67731500    2.72460200    0.39737000 H                 -0.67396900    2.86989400    2.17555100 H                 -0.46193600    4.31973300    1.16445100-H -B -C -N -O -F -Br 06-31g*****