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	hartrees
Energy at 0K	-209.362975
Energy at 298.15K	-209.370363
HF Energy	-208.825621
Nuclear repulsion energy	156.971228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3115	3021
2	A'	3109	3015
3	A'	3041	2949
4	A'	3035	2943
5	A'	2146	2081
6	A'	1583	1535
7	A'	1578	1530
8	A'	1481	1437
9	A'	1396	1353
10	A'	1225	1188
11	A'	1173	1138
12	A'	911	883
13	A'	750	728
14	A'	565	548
15	A'	365	354
16	A'	299	290
17	A'	235	228
18	A"	3112	3018
19	A"	3105	3011
20	A"	3033	2941
21	A"	1567	1520
22	A"	1566	1519
23	A"	1464	1420
24	A"	1365	1324
25	A"	1135	1101
26	A"	991	961
27	A"	966	936
28	A"	589	571
29	A"	244	236
30	A"	208	202

Atom	x (Å)	y (Å)	z (Å)
N1	0.154	-2.247	0.000
C2	-0.107	-1.090	0.000
C3	-0.420	0.360	0.000
C4	0.154	1.035	1.286
C5	0.154	1.035	-1.286
H6	-1.517	0.467	0.000
H7	-0.113	2.102	1.283
H8	-0.257	0.566	2.190
H9	1.248	0.941	1.298
H10	-0.113	2.102	-1.283
H11	-0.257	0.566	-2.190
H12	1.248	0.941	-1.298

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1861	2.6698	3.5256	3.5256	3.1874	4.5427	3.5891	3.6123	4.5427	3.5891	3.6123
C2	1.1861		1.4837	2.4978	2.4978	2.1009	3.4406	2.7499	2.7653	3.4406	2.7499	2.7653
C3	2.6698	1.4837		1.5612	1.5612	1.1021	2.1853	2.2055	2.1920	2.1853	2.2055	2.1920
C4	3.5256	2.4978	1.5612		2.5711	2.1828	1.0994	1.0984	1.0988	2.7941	3.5308	2.8078
C5	3.5256	2.4978	1.5612	2.5711		2.1828	2.7941	3.5308	2.8078	1.0994	1.0984	1.0988
H6	3.1874	2.1009	1.1021	2.1828	2.1828		2.5081	2.5281	3.0909	2.5081	2.5281	3.0909
H7	4.5427	3.4406	2.1853	1.0994	2.7941	2.5081		1.7893	1.7890	2.5664	3.8002	3.1408
H8	3.5891	2.7499	2.2055	1.0984	3.5308	2.5281	1.7893		1.7891	3.8002	4.3796	3.8175
H9	3.6123	2.7653	2.1920	1.0988	2.8078	3.0909	1.7890	1.7891		3.1408	3.8175	2.5967
H10	4.5427	3.4406	2.1853	2.7941	1.0994	2.5081	2.5664	3.8002	3.1408		1.7893	1.7890
H11	3.5891	2.7499	2.2055	3.5308	1.0984	2.5281	3.8002	4.3796	3.8175	1.7893		1.7891
H12	3.6123	2.7653	2.1920	2.8078	1.0988	3.0909	3.1408	3.8175	2.5967	1.7890	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	179.501	C2	C3	C4	110.205
C2	C3	C5	110.205	C2	C3	H6	107.765
C3	C4	H7	109.213	C3	C4	H8	110.845
C3	C4	H9	109.765	C3	C5	H10	109.213
C3	C5	H11	110.845	C3	C5	H12	109.765
C4	C3	C5	110.859	C4	C3	H6	108.866
C5	C3	H6	108.866	H7	C4	H8	109.003
H7	C4	H9	108.948	H8	C4	H9	109.036
H10	C5	H11	109.003	H10	C5	H12	108.948
H11	C5	H12	109.036

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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