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	hartrees
Energy at 0K	-213.011448
Energy at 298.15K	-213.024339
HF Energy	-212.317739
Nuclear repulsion energy	194.367185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3603	3398	0.02
2	A	3504	3304	0.54
3	A	3203	3021	25.49
4	A	3197	3015	27.14
5	A	3186	3004	32.57
6	A	3184	3002	24.93
7	A	3152	2973	12.46
8	A	3101	2924	20.83
9	A	3100	2923	29.14
10	A	3096	2919	13.32
11	A	2996	2825	66.71
12	A	1724	1626	43.27
13	A	1577	1487	8.69
14	A	1564	1475	5.11
15	A	1564	1474	2.83
16	A	1555	1467	3.30
17	A	1541	1453	0.59
18	A	1477	1393	4.42
19	A	1466	1383	9.25
20	A	1460	1377	8.29
21	A	1434	1353	12.74
22	A	1379	1301	2.42
23	A	1343	1266	1.13
24	A	1298	1224	0.39
25	A	1243	1172	1.60
26	A	1203	1134	11.47
27	A	1110	1046	1.14
28	A	1072	1011	2.54
29	A	1051	991	7.32
30	A	1015	957	3.20
31	A	984	928	23.38
32	A	921	868	107.07
33	A	846	797	2.34
34	A	796	751	0.88
35	A	494	466	8.33
36	A	471	444	5.73
37	A	388	366	0.07
38	A	325	306	39.51
39	A	273	257	3.13
40	A	247	233	8.43
41	A	238	224	11.65
42	A	117	110	2.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.544	1.372	-0.238
H2	-0.247	1.920	0.097
H3	1.377	1.845	0.111
C4	1.776	-0.701	-0.015
H5	1.897	-0.735	-1.102
H6	2.643	-0.186	0.410
H7	1.767	-1.724	0.374
C8	0.485	0.022	0.336
H9	0.382	0.032	1.437
C10	-0.722	-0.712	-0.236
H11	-0.592	-0.780	-1.322
H12	-0.721	-1.735	0.160
C13	-2.056	-0.044	0.084
H14	-2.891	-0.651	-0.278
H15	-2.136	0.937	-0.393
H16	-2.182	0.086	1.164

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0190	1.0200	2.4218	2.6479	2.6934	3.3840	1.4674	2.1512	2.4379	2.6633	3.3777	2.9778	3.9860	2.7191	3.3238
H2	1.0190		1.6256	3.3131	3.6165	3.5897	4.1725	2.0481	2.3993	2.6955	3.0698	3.6866	2.6709	3.7072	2.1857	2.8718
H3	1.0200	1.6256		2.5803	2.8972	2.4115	3.5993	2.0414	2.4566	3.3263	3.5806	4.1496	3.9186	4.9593	3.6633	4.1069
C4	2.4218	3.3131	2.5803		1.0935	1.0955	1.0939	1.5209	2.1425	2.5079	2.7062	2.7080	3.8890	4.6743	4.2576	4.2041
H5	2.6479	3.6165	2.8972	1.0935		1.7735	1.7810	2.1521	3.0539	2.7583	2.4992	3.0730	4.1839	4.8584	4.4223	4.7372
H6	2.6934	3.5897	2.4115	1.0955	1.7735		1.7709	2.1696	2.4933	3.4674	3.7184	3.7126	4.7128	5.5964	4.9746	4.8913
H7	3.3840	4.1725	3.5993	1.0939	1.7810	1.7709		2.1663	2.4761	2.7552	3.0552	2.4970	4.1853	4.8238	4.7849	4.4149
C8	1.4674	2.0481	2.0414	1.5209	2.1521	2.1696	2.1663		1.1061	1.5244	2.1339	2.1388	2.5544	3.4967	2.8699	2.7933
H9	2.1512	2.3993	2.4566	2.1425	3.0539	2.4933	2.4761	1.1061		2.1381	3.0368	2.4435	2.7891	3.7575	3.2412	2.5787
C10	2.4379	2.6955	3.3263	2.5079	2.7583	3.4674	2.7552	1.5244	2.1381		1.0961	1.0970	1.5254	2.1698	2.1772	2.1744
H11	2.6633	3.0698	3.5806	2.7062	2.4992	3.7184	3.0552	2.1339	3.0368	1.0961		1.7679	2.1588	2.5277	2.4883	3.0755
H12	3.3777	3.6866	4.1496	2.7080	3.0730	3.7126	2.4970	2.1388	2.4435	1.0970	1.7679		2.1555	2.4648	3.0732	2.5417
C13	2.9778	2.6709	3.9186	3.8890	4.1839	4.7128	4.1853	2.5544	2.7891	1.5254	2.1588	2.1555		1.0937	1.0936	1.0953
H14	3.9860	3.7072	4.9593	4.6743	4.8584	5.5964	4.8238	3.4967	3.7575	2.1698	2.5277	2.4648	1.0937		1.7615	1.7683
H15	2.7191	2.1857	3.6633	4.2576	4.4223	4.9746	4.7849	2.8699	3.2412	2.1772	2.4883	3.0732	1.0936	1.7615		1.7746
H16	3.3238	2.8718	4.1069	4.2041	4.7372	4.8913	4.4149	2.7933	2.5787	2.1744	3.0755	2.5417	1.0953	1.7683	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.260	N1	C8	H9	112.664
N1	C8	C10	109.129	H2	N1	H3	105.729
H2	N1	C8	109.596	H3	N1	C8	108.976
C4	C8	H9	108.249	C4	C8	C10	110.876
H5	C4	H6	108.228	H5	C4	H7	109.018
H5	C4	C8	109.723	H6	C4	H7	107.971
H6	C4	C8	110.999	H7	C4	C8	110.831
C8	C10	H11	107.922	C8	C10	H12	108.240
C8	C10	C13	113.765	H9	C8	C10	107.681
C10	C13	H14	110.810	C10	C13	H15	111.401
C10	C13	H16	111.081	H11	C10	H12	107.439
H11	C10	C13	109.793	H12	C10	C13	109.476
H14	C13	H15	107.283	H14	C13	H16	107.770
H15	C13	H16	108.336

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

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 CH3C(NH2)HCH2CH3 (2-Butanamine)

using model chemistry: MP2/6-31G*

States and conformations

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