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	hartrees
Energy at 0K	-210.386913
Energy at 298.15K	-210.394124
HF Energy	-209.894526
Nuclear repulsion energy	156.617042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3024	27.31
2	A'	3156	3020	43.04
3	A'	3065	2933	15.72
4	A'	3052	2920	7.90
5	A'	2092	2002	1.97
6	A'	1579	1511	11.48
7	A'	1573	1505	7.97
8	A'	1494	1430	3.56
9	A'	1399	1339	4.27
10	A'	1244	1190	2.72
11	A'	1173	1123	5.61
12	A'	942	901	0.35
13	A'	763	730	0.49
14	A'	536	512	1.20
15	A'	364	348	0.22
16	A'	284	272	0.30
17	A'	200	191	1.75
18	A"	3158	3022	15.98
19	A"	3152	3016	0.82
20	A"	3064	2932	18.19
21	A"	1564	1496	1.89
22	A"	1562	1494	2.38
23	A"	1475	1411	4.82
24	A"	1385	1325	0.52
25	A"	1161	1111	3.55
26	A"	1008	964	0.06
27	A"	978	936	1.93
28	A"	539	516	0.82
29	A"	238	227	0.02
30	A"	169	162	3.30

Atom	x (Å)	y (Å)	z (Å)
N1	0.418	-2.233	0.000
C2	0.025	-1.097	0.000
C3	-0.443	0.315	0.000
C4	0.025	1.051	1.285
C5	0.025	1.051	-1.285
H6	-1.546	0.290	0.000
H7	-0.370	2.076	1.285
H8	-0.333	0.537	2.187
H9	1.122	1.097	1.322
H10	-0.370	2.076	-1.285
H11	-0.333	0.537	-2.187
H12	1.122	1.097	-1.322

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.2018	2.6886	3.5478	3.5478	3.1963	4.5647	3.6084	3.6507	4.5647	3.6084	3.6507
C2	1.2018		1.4869	2.5029	2.5029	2.0948	3.4459	2.7537	2.7860	3.4459	2.7537	2.7860
C3	2.6886	1.4869		1.5534	1.5534	1.1029	2.1816	2.2013	2.1923	2.1816	2.2013	2.1923
C4	3.5478	2.5029	1.5534		2.5709	2.1673	1.0987	1.0977	1.0985	2.7953	3.5287	2.8287
C5	3.5478	2.5029	1.5534	2.5709		2.1673	2.7953	3.5287	2.8287	1.0987	1.0977	1.0985
H6	3.1963	2.0948	1.1029	2.1673	2.1673		2.4950	2.5129	3.0841	2.4950	2.5129	3.0841
H7	4.5647	3.4459	2.1816	1.0987	2.7953	2.4950		1.7843	1.7845	2.5697	3.7980	3.1585
H8	3.6084	2.7537	2.2013	1.0977	3.5287	2.5129	1.7843		1.7832	3.7980	4.3745	3.8395
H9	3.6507	2.7860	2.1923	1.0985	2.8287	3.0841	1.7845	1.7832		3.1585	3.8395	2.6430
H10	4.5647	3.4459	2.1816	2.7953	1.0987	2.4950	2.5697	3.7980	3.1585		1.7843	1.7845
H11	3.6084	2.7537	2.2013	3.5287	1.0977	2.5129	3.7980	4.3745	3.8395	1.7843		1.7832
H12	3.6507	2.7860	2.1923	2.8287	1.0985	3.0841	3.1585	3.8395	2.6430	1.7845	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	179.251	C2	C3	C4	110.803
C2	C3	C5	110.803	C2	C3	H6	107.040
C3	C4	H7	109.499	C3	C4	H8	111.100
C3	C4	H9	110.345	C3	C5	H10	109.499
C3	C5	H11	111.100	C3	C5	H12	110.345
C4	C3	C5	111.692	C4	C3	H6	108.159
C5	C3	H6	108.159	H7	C4	H8	108.655
H7	C4	H9	108.617	H8	C4	H9	108.568
H10	C5	H11	108.655	H10	C5	H12	108.617
H11	C5	H12	108.568

All results from a given calculation for CH₃CH(CH₃)CN (Propanenitrile, 2-methyl-)

using model chemistry: MP2/6-31G

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 CH3CH(CH3)CN (Propanenitrile, 2-methyl-)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for CH₃CH(CH₃)CN (Propanenitrile, 2-methyl-)