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	hartrees
Energy at 0K	-213.095181
Energy at 298.15K	-213.108030
HF Energy	-212.359740
Nuclear repulsion energy	194.497056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3448	0.03
2	A	3535	3359	1.13
3	A	3173	3016	35.32
4	A	3169	3011	23.57
5	A	3157	3000	41.76
6	A	3154	2998	24.17
7	A	3128	2972	11.85
8	A	3074	2921	34.88
9	A	3071	2918	20.14
10	A	3068	2916	21.03
11	A	2981	2833	68.74
12	A	1742	1655	54.26
13	A	1554	1477	12.04
14	A	1539	1463	7.04
15	A	1538	1461	5.35
16	A	1529	1453	5.72
17	A	1515	1439	0.90
18	A	1455	1382	6.27
19	A	1442	1370	12.90
20	A	1436	1365	10.52
21	A	1416	1346	10.32
22	A	1358	1291	0.75
23	A	1329	1263	0.85
24	A	1284	1220	0.32
25	A	1229	1167	1.60
26	A	1189	1130	12.67
27	A	1099	1045	1.13
28	A	1063	1010	2.54
29	A	1037	985	7.52
30	A	1001	951	2.25
31	A	977	928	30.94
32	A	914	869	103.60
33	A	836	794	1.83
34	A	786	747	0.72
35	A	487	463	7.17
36	A	469	446	6.04
37	A	385	366	0.09
38	A	320	304	31.65
39	A	266	252	5.19
40	A	241	229	2.42
41	A	223	212	23.41
42	A	120	114	1.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.535	1.372	-0.236
H2	-0.249	1.915	0.108
H3	1.373	1.840	0.094
C4	1.780	-0.696	-0.019
H5	1.899	-0.727	-1.105
H6	2.646	-0.178	0.405
H7	1.777	-1.718	0.368
C8	0.486	0.023	0.337
H9	0.388	0.037	1.438
C10	-0.721	-0.719	-0.228
H11	-0.586	-0.803	-1.312
H12	-0.720	-1.735	0.184
C13	-2.056	-0.045	0.078
H14	-2.891	-0.660	-0.265
H15	-2.141	0.922	-0.425
H16	-2.181	0.115	1.154

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0142	1.0150	2.4235	2.6497	2.6969	3.3853	1.4664	2.1465	2.4394	2.6736	3.3779	2.9699	3.9838	2.7202	3.3000
H2	1.0142		1.6246	3.3092	3.6148	3.5857	4.1687	2.0428	2.3884	2.6970	3.0854	3.6817	2.6657	3.7082	2.2019	2.8401
H3	1.0150	1.6246		2.5707	2.8811	2.4065	3.5917	2.0362	2.4555	3.3221	3.5782	4.1442	3.9132	4.9564	3.6690	4.0906
C4	2.4235	3.3092	2.5707		1.0931	1.0948	1.0932	1.5219	2.1432	2.5091	2.6986	2.7148	3.8917	4.6773	4.2606	4.2093
H5	2.6497	3.6148	2.8811	1.0931		1.7716	1.7799	2.1532	3.0543	2.7626	2.4953	3.0882	4.1841	4.8635	4.4160	4.7388
H6	2.6969	3.5857	2.4065	1.0948	1.7716		1.7686	2.1705	2.4923	3.4683	3.7135	3.7157	4.7156	5.5987	4.9817	4.8939
H7	3.3853	4.1687	3.5917	1.0932	1.7799	1.7686		2.1682	2.4803	2.7557	3.0412	2.5043	4.1928	4.8286	4.7908	4.4324
C8	1.4664	2.0428	2.0362	1.5219	2.1532	2.1705	2.1682		1.1054	1.5252	2.1337	2.1383	2.5564	3.4981	2.8792	2.7912
H9	2.1465	2.3884	2.4555	2.1432	3.0543	2.4923	2.4803	1.1054		2.1387	3.0359	2.4375	2.7982	3.7604	3.2635	2.5861
C10	2.4394	2.6970	3.3221	2.5091	2.7626	3.4683	2.7557	1.5252	2.1387		1.0959	1.0965	1.5269	2.1716	2.1791	2.1764
H11	2.6736	3.0854	3.5782	2.6986	2.4953	3.7135	3.0412	2.1337	3.0359	1.0959		1.7675	2.1605	2.5351	2.4858	3.0768
H12	3.3779	3.6817	4.1442	2.7148	3.0882	3.7157	2.5043	2.1383	2.4375	1.0965	1.7675		2.1575	2.4639	3.0742	2.5495
C13	2.9699	2.6657	3.9132	3.8917	4.1841	4.7156	4.1928	2.5564	2.7982	1.5269	2.1605	2.1575		1.0928	1.0930	1.0947
H14	3.9838	3.7082	4.9564	4.6773	4.8635	5.5987	4.8286	3.4981	3.7604	2.1716	2.5351	2.4639	1.0928		1.7582	1.7664
H15	2.7202	2.2019	3.6690	4.2606	4.4160	4.9817	4.7908	2.8792	3.2635	2.1791	2.4858	3.0742	1.0930	1.7582		1.7736
H16	3.3000	2.8401	4.0906	4.2093	4.7388	4.8939	4.4324	2.7912	2.5861	2.1764	3.0768	2.5495	1.0947	1.7664	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.376	N1	C8	H9	112.402
N1	C8	C10	109.237	H2	N1	H3	106.376
H2	N1	C8	109.524	H3	N1	C8	108.932
C4	C8	H9	108.274	C4	C8	C10	110.856
H5	C4	H6	108.143	H5	C4	H7	109.001
H5	C4	C8	109.768	H6	C4	H7	107.861
H6	C4	C8	111.039	H7	C4	C8	110.949
C8	C10	H11	107.859	C8	C10	H12	108.180
C8	C10	C13	113.766	H9	C8	C10	107.710
C10	C13	H14	110.886	C10	C13	H15	111.483
C10	C13	H16	111.163	H11	C10	H12	107.448
H11	C10	C13	109.828	H12	C10	C13	109.553
H14	C13	H15	107.100	H14	C13	H16	107.696
H15	C13	H16	108.337

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)

using model chemistry: MP2/6-311G*

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 CH3C(NH2)HCH2CH3 (2-Butanamine)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)