Temel Gaussian İnputu: Temel bir g09 inputu aşağıdaki şekildedir.
%nprocshared=4
%mem=20GB
%chk=water.chk
# mp2/cc-pvdz
water
0 1
O -0.000000000576 -0.066535494673 0.000000000000
H -0.760971323485 0.527983293303 0.000000000000
H 0.760971332628 0.527983290781 0.000000000000
Gaussian PES İnputu: Temel bir PES input örneği aşağıdaki şekildedir.
%chk=
# mp2/aug-cc-pvtz
Title Card Required
0 1
C
C 1 rCC
C 2 rCC 1 A120
C 3 rCC 2 A120 1 D0
C 4 rCC 3 A120 2 D0
C 5 rCC 4 A120 3 D0
H 1 rCH 2 A120 3 D180
H 2 rCH 1 A120 6 D180
H 3 rCH 2 A120 1 D180
H 4 rCH 3 A120 2 D180
H 5 rCH 4 A120 3 D180
H 6 rCH 5 A120 4 D180
X 3 rCC 2 A60 1 D0
Fe 13 R 3 A90 2 D90
rCC 1.3915
rCH 1.08
A120 120.0
A60 60.0
A90 90.0
D0 0.0
D90 -90.0
D180 180.0
R 1.0 7.0 0.2