When using gaussian software for opt calculations, how do I fix the central position of the molecule (where there are no atoms, such as ethane), or limit the molecule to a local region of optimization?
I have used gic method in gaussian 16(https://gaussian.com/gic/) but failed to fix the central position.
# opt b3lyp/6-31g(d,p) geom=gic
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0 1
C 0 -3.11616551 -0.10136404 -0.07747210
H 0 -3.52940963 0.35783346 0.79617940
H 0 -3.52940963 0.35783346 -0.95112360
H 0 -3.35232462 -1.14497742 -0.07747210
C 0 -1.58674718 0.07885679 -0.07747210
H 0 -1.17350277 -0.38034307 -0.95112223
H 0 -1.35058858 1.12247028 -0.07747446
H 0 -1.17350280 -0.38033854 0.79618043
C -1 1.08660750 1.69629127 0.10644723
H -1 1.44328034 2.20068946 0.98009873
H -1 1.44328034 2.20068946 -0.76720427
H -1 0.01660750 1.69630446 0.10644723
C -1 1.59992321 0.24435912 0.10644723
H -1 1.24325240 -0.26003835 0.98009998
H -1 1.24324834 -0.26003979 -0.76720303
H -1 2.66992321 0.24434593 0.10644474
XC1(freeze)=XCntr(9,13)
YC1(freeze)=YCntr(9,13)
ZC1(freeze)=ZCntr(9,13)