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	hartrees
Energy at 0K	-38.424189
Energy at 298.15K	-38.436734
HF Energy	-37.947294
Nuclear repulsion energy	111.222228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3491	0.42
2	A	3446	3363	3.65
3	A	3079	3005	59.90
4	A	3070	2996	49.60
5	A	3060	2987	69.01
6	A	3058	2985	38.58
7	A	3032	2959	9.74
8	A	2967	2895	30.52
9	A	2958	2887	30.57
10	A	2957	2886	54.18
11	A	2882	2813	85.59
12	A	1719	1678	51.45
13	A	1539	1502	8.34
14	A	1526	1490	8.72
15	A	1525	1489	2.01
16	A	1521	1484	3.77
17	A	1500	1464	0.72
18	A	1442	1407	5.04
19	A	1439	1405	10.28
20	A	1422	1388	4.53
21	A	1387	1354	22.86
22	A	1357	1325	5.37
23	A	1301	1270	1.51
24	A	1254	1224	1.32
25	A	1216	1187	2.99
26	A	1161	1133	3.50
27	A	1066	1040	2.88
28	A	1037	1012	6.19
29	A	1012	988	1.73
30	A	986	963	2.55
31	A	937	914	9.63
32	A	819	800	16.19
33	A	776	758	63.11
34	A	748	730	105.33
35	A	467	456	6.99
36	A	449	438	8.13
37	A	370	361	0.53
38	A	272	265	17.25
39	A	244	238	11.06
40	A	217	212	1.08
41	A	184	179	34.68
42	A	105	103	2.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.556	1.406	-0.211
H2	-0.209	2.009	0.104
H3	1.460	1.857	-0.050
C4	1.818	-0.719	-0.019
H5	1.941	-0.723	-1.116
H6	2.689	-0.209	0.432
H7	1.803	-1.759	0.349
C8	0.493	0.009	0.350
H9	0.388	0.012	1.461
C10	-0.745	-0.732	-0.244
H11	-0.605	-0.794	-1.339
H12	-0.754	-1.761	0.165
C13	-2.108	-0.038	0.079
H14	-2.955	-0.663	-0.251
H15	-2.188	0.933	-0.441
H16	-2.211	0.132	1.167

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0231	1.0237	2.4786	2.6966	2.7519	3.4474	1.5062	2.1830	2.5027	2.7313	3.4480	3.0433	4.0749	2.7934	3.3434
H2	1.0231		1.6830	3.4001	3.6841	3.6640	4.2781	2.1331	2.4869	2.8142	3.1769	3.8099	2.7918	3.8475	2.3174	2.9433
H3	1.0237	1.6830		2.6008	2.8330	2.4520	3.6542	2.1238	2.6150	3.4067	3.5996	4.2480	4.0421	5.0876	3.7836	4.2355
C4	2.4786	3.4001	2.6008		1.1032	1.1053	1.1035	1.5564	2.1840	2.5728	2.7602	2.7816	3.9856	4.7785	4.3530	4.2858
H5	2.6966	3.6841	2.8330	1.1032		1.7938	1.7987	2.1869	3.0970	2.8242	2.5572	3.1594	4.2768	4.9719	4.4993	4.8152
H6	2.7519	3.6640	2.4520	1.1053	1.7938		1.7870	2.2087	2.5307	3.5388	3.7854	3.7864	4.8130	5.7029	5.0841	4.9673
H7	3.4474	4.2781	3.6542	1.1035	1.7987	1.7870		2.2008	2.5250	2.8104	3.0949	2.5638	4.2814	4.9188	4.8778	4.5125
C8	1.5062	2.1331	2.1238	1.5564	2.1869	2.2087	2.2008		1.1157	1.5603	2.1687	2.1738	2.6152	3.5634	2.9432	2.8278
H9	2.1830	2.4869	2.6150	2.1840	3.0970	2.5307	2.5250	1.1157		2.1776	3.0778	2.4756	2.8530	3.8152	3.3311	2.6187
C10	2.5027	2.8142	3.4067	2.5728	2.8242	3.5388	2.8104	1.5603	2.1776		1.1055	1.1076	1.5632	2.2106	2.2114	2.2107
H11	2.7313	3.1769	3.5996	2.7602	2.5572	3.7854	3.0949	2.1687	3.0778	1.1055		1.7939	2.1998	2.5922	2.5081	3.1169
H12	3.4480	3.8099	4.2480	2.7816	3.1594	3.7864	2.5638	2.1738	2.4756	1.1076	1.7939		2.1935	2.4942	3.1111	2.5911
C13	3.0433	2.7918	4.0421	3.9856	4.2768	4.8130	4.2814	2.6152	2.8530	1.5632	2.1998	2.1935		1.1032	1.1034	1.1059
H14	4.0749	3.8475	5.0876	4.7785	4.9719	5.7029	4.9188	3.5634	3.8152	2.2106	2.5922	2.4942	1.1032		1.7805	1.7871
H15	2.7934	2.3174	3.7836	4.3530	4.4993	5.0841	4.8778	2.9432	3.3311	2.2114	2.5081	3.1111	1.1034	1.7805		1.7961
H16	3.3434	2.9433	4.2355	4.2858	4.8152	4.9673	4.5125	2.8278	2.6187	2.2107	3.1169	2.5911	1.1059	1.7871	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.049	N1	C8	H9	111.872
N1	C8	C10	109.391	H2	N1	H3	110.627
H2	N1	C8	113.620	H3	N1	C8	112.781
C4	C8	H9	108.511	C4	C8	C10	111.277
H5	C4	H6	108.624	H5	C4	H7	109.200
H5	C4	C8	109.442	H6	C4	H7	108.001
H6	C4	C8	111.017	H7	C4	C8	110.508
C8	C10	H11	107.655	C8	C10	H12	107.931
C8	C10	C13	113.704	H9	C8	C10	107.766
C10	C13	H14	110.829	C10	C13	H15	110.878
C10	C13	H16	110.671	H11	C10	H12	108.307
H11	C10	C13	109.848	H12	C10	C13	109.246
H14	C13	H15	107.589	H14	C13	H16	107.994
H15	C13	H16	108.770

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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