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	hartrees
Energy at 0K	-210.876050
Energy at 298.15K	-210.883290
HF Energy	-210.043612
Nuclear repulsion energy	158.128132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3139	3043
2	A'	3133	3038
3	A'	3058	2965
4	A'	3047	2954
5	A'	2165	2100
6	A'	1521	1475
7	A'	1515	1469
8	A'	1435	1392
9	A'	1356	1315
10	A'	1206	1169
11	A'	1131	1097
12	A'	942	914
13	A'	772	748
14	A'	536	520
15	A'	352	341
16	A'	290	281
17	A'	218	211
18	A"	3137	3042
19	A"	3129	3034
20	A"	3045	2953
21	A"	1503	1457
22	A"	1500	1455
23	A"	1415	1372
24	A"	1343	1303
25	A"	1149	1114
26	A"	984	954
27	A"	943	915
28	A"	554	537
29	A"	226	219
30	A"	183	178

Atom	x (Å)	y (Å)	z (Å)
N1	0.420	-2.195	0.000
C2	0.024	-1.087	0.000
C3	-0.449	0.314	0.000
C4	0.024	1.035	1.276
C5	0.024	1.035	-1.276
H6	-1.547	0.275	0.000
H7	-0.361	2.062	1.282
H8	-0.332	0.520	2.176
H9	1.120	1.072	1.307
H10	-0.361	2.062	-1.282
H11	-0.332	0.520	-2.176
H12	1.120	1.072	-1.307

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1765	2.6548	3.4950	3.4950	3.1581	4.5134	3.5590	3.5870	4.5134	3.5590	3.5870
C2	1.1765		1.4783	2.4759	2.4759	2.0799	3.4212	2.7277	2.7509	3.4212	2.7277	2.7509
C3	2.6548	1.4783		1.5403	1.5403	1.0995	2.1692	2.1883	2.1779	2.1692	2.1883	2.1779
C4	3.4950	2.4759	1.5403		2.5527	2.1625	1.0970	1.0958	1.0968	2.7833	3.5083	2.8063
C5	3.4950	2.4759	1.5403	2.5527		2.1625	2.7833	3.5083	2.8063	1.0970	1.0958	1.0968
H6	3.1581	2.0799	1.0995	2.1625	2.1625		2.4982	2.5040	3.0754	2.4982	2.5040	3.0754
H7	4.5134	3.4212	2.1692	1.0970	2.7833	2.4982		1.7828	1.7819	2.5632	3.7856	3.1425
H8	3.5590	2.7277	2.1883	1.0958	3.5083	2.5040	1.7828		1.7798	3.7856	4.3510	3.8132
H9	3.5870	2.7509	2.1779	1.0968	2.8063	3.0754	1.7819	1.7798		3.1425	3.8132	2.6138
H10	4.5134	3.4212	2.1692	2.7833	1.0970	2.4982	2.5632	3.7856	3.1425		1.7828	1.7819
H11	3.5590	2.7277	2.1883	3.5083	1.0958	2.5040	3.7856	4.3510	3.8132	1.7828		1.7798
H12	3.5870	2.7509	2.1779	2.8063	1.0968	3.0754	3.1425	3.8132	2.6138	1.7819	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.989	C2	C3	C4	110.195
C2	C3	C5	110.195	C2	C3	H6	106.656
C3	C4	H7	109.526	C3	C4	H8	111.102
C3	C4	H9	110.216	C3	C5	H10	109.526
C3	C5	H11	111.102	C3	C5	H12	110.216
C4	C3	C5	111.919	C4	C3	H6	108.858
C5	C3	H6	108.858	H7	C4	H8	108.781
H7	C4	H9	108.633	H8	C4	H9	108.530
H10	C5	H11	108.781	H10	C5	H12	108.633
H11	C5	H12	108.530

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

using model chemistry: MP4/6-311G**

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

using model chemistry: MP4/6-311G**

States and conformations

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