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	hartrees
Energy at 0K	-132.444969
Energy at 298.15K	-132.447533
HF Energy	-131.956976
Nuclear repulsion energy	58.022396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3065	2957
2	A₁	2296	2215
3	A₁	1422	1372
4	A₁	922	889
5	E	3150	3039
5	E	3150	3039
6	E	1493	1440
6	E	1493	1440
7	E	1067	1029
7	E	1067	1029
8	E	364	351
8	E	364	351

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.190
C2	0.000	0.000	0.282
N3	0.000	0.000	1.448
H4	0.000	1.030	-1.561
H5	0.892	-0.515	-1.561
H6	-0.892	-0.515	-1.561

	C1	C2	N3	H4	H5	H6
C1		1.4720	2.6381	1.0946	1.0946	1.0946
C2	1.4720		1.1662	2.1108	2.1108	2.1108
N3	2.6381	1.1662		3.1801	3.1801	3.1801
H4	1.0946	2.1108	3.1801		1.7841	1.7841
H5	1.0946	2.1108	3.1801	1.7841		1.7841
H6	1.0946	2.1108	3.1801	1.7841	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	180.000	C2	C1	H4	109.781
C2	C1	H5	109.781	C2	C1	H6	109.781
H4	C1	H5	109.159	H4	C1	H6	109.159
H5	C1	H6	109.159

All results from a given calculation for CH₃CN (Acetonitrile)

using model chemistry: CCSD(T)/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CN (Acetonitrile)

using model chemistry: CCSD(T)/6-311G**

States and conformations

All results from a given calculation for CH₃CN (Acetonitrile)