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	hartrees
Energy at 0K	-213.128743
Energy at 298.15K	-213.141645
HF Energy	-212.339532
Nuclear repulsion energy	194.948756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3428	0.02
2	A	3568	3334	0.78
3	A	3235	3023	27.55
4	A	3230	3018	26.93
5	A	3219	3008	33.89
6	A	3216	3005	25.91
7	A	3183	2974	13.51
8	A	3126	2921	20.72
9	A	3125	2920	33.10
10	A	3122	2917	13.08
11	A	3024	2826	67.30
12	A	1700	1588	38.33
13	A	1575	1472	6.88
14	A	1563	1460	2.18
15	A	1561	1459	4.06
16	A	1553	1451	2.17
17	A	1536	1435	0.45
18	A	1475	1378	3.93
19	A	1462	1366	6.37
20	A	1458	1362	8.99
21	A	1433	1339	12.51
22	A	1378	1287	3.53
23	A	1342	1254	1.27
24	A	1295	1210	0.32
25	A	1242	1160	1.28
26	A	1201	1123	9.84
27	A	1110	1037	1.10
28	A	1071	1001	2.04
29	A	1049	980	5.55
30	A	1014	947	2.10
31	A	981	917	14.65
32	A	909	849	109.97
33	A	845	789	2.81
34	A	795	743	1.60
35	A	491	459	7.14
36	A	471	440	6.09
37	A	386	361	0.19
38	A	325	304	36.18
39	A	272	254	2.85
40	A	247	231	8.14
41	A	238	222	10.98
42	A	116	109	2.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.541	1.371	-0.237
H2	-0.226	1.927	0.123
H3	1.385	1.831	0.085
C4	1.775	-0.700	-0.016
H5	1.900	-0.723	-1.097
H6	2.638	-0.193	0.416
H7	1.763	-1.721	0.361
C8	0.484	0.022	0.334
H9	0.384	0.032	1.430
C10	-0.724	-0.715	-0.231
H11	-0.595	-0.796	-1.312
H12	-0.727	-1.730	0.173
C13	-2.054	-0.041	0.080
H14	-2.890	-0.649	-0.261
H15	-2.131	0.924	-0.415
H16	-2.172	0.113	1.153

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0136	1.0146	2.4208	2.6404	2.6957	3.3780	1.4659	2.1437	2.4394	2.6717	3.3742	2.9712	3.9809	2.7145	3.2977
H2	1.0136		1.6148	3.3055	3.6102	3.5750	4.1623	2.0447	2.3817	2.7121	3.0996	3.6911	2.6867	3.7253	2.2188	2.8532
H3	1.0146	1.6148		2.5633	2.8618	2.4030	3.5832	2.0369	2.4594	3.3220	3.5742	4.1412	3.9163	4.9547	3.6656	4.0928
C4	2.4208	3.3055	2.5633		1.0883	1.0899	1.0883	1.5195	2.1361	2.5086	2.7029	2.7120	3.8868	4.6718	4.2490	4.1963
H5	2.6404	3.6102	2.8618	1.0883		1.7648	1.7714	2.1460	3.0422	2.7631	2.5051	3.0860	4.1815	4.8626	4.4074	4.7267
H6	2.6957	3.5750	2.4030	1.0899	1.7648		1.7617	2.1654	2.4816	3.4632	3.7146	3.7067	4.7063	5.5875	4.9675	4.8757
H7	3.3780	4.1623	3.5832	1.0883	1.7714	1.7617		2.1618	2.4741	2.7478	3.0357	2.4972	4.1803	4.8157	4.7713	4.4137
C8	1.4659	2.0447	2.0369	1.5195	2.1460	2.1654	2.1618		1.1012	1.5241	2.1309	2.1352	2.5521	3.4914	2.8663	2.7816
H9	2.1437	2.3817	2.4594	2.1361	3.0422	2.4816	2.4741	1.1012		2.1326	3.0271	2.4329	2.7882	3.7477	3.2446	2.5727
C10	2.4394	2.7121	3.3220	2.5086	2.7631	3.4632	2.7478	1.5241	2.1326		1.0912	1.0919	1.5232	2.1669	2.1680	2.1674
H11	2.6717	3.0996	3.5742	2.7029	2.5051	3.7146	3.0357	2.1309	3.0271	1.0912		1.7590	2.1530	2.5280	2.4739	3.0637
H12	3.3742	3.6911	4.1412	2.7120	3.0860	3.7067	2.4972	2.1352	2.4329	1.0919	1.7590		2.1497	2.4569	3.0595	2.5383
C13	2.9712	2.6867	3.9163	3.8868	4.1815	4.7063	4.1803	2.5521	2.7882	1.5232	2.1530	2.1497		1.0881	1.0880	1.0901
H14	3.9809	3.7253	4.9547	4.6718	4.8626	5.5875	4.8157	3.4914	3.7477	2.1669	2.5280	2.4569	1.0881		1.7533	1.7591
H15	2.7145	2.2188	3.6656	4.2490	4.4074	4.9675	4.7713	2.8663	3.2446	2.1680	2.4739	3.0595	1.0880	1.7533		1.7663
H16	3.2977	2.8532	4.0928	4.1963	4.7267	4.8757	4.4137	2.7816	2.5727	2.1674	3.0637	2.5383	1.0901	1.7591	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.348	N1	C8	H9	112.474
N1	C8	C10	109.330	H2	N1	H3	105.531
H2	N1	C8	109.757	H3	N1	C8	109.046
C4	C8	H9	108.135	C4	C8	C10	111.019
H5	C4	H6	108.235	H5	C4	H7	108.946
H5	C4	C8	109.644	H6	C4	H7	107.947
H6	C4	C8	111.093	H7	C4	C8	110.903
C8	C10	H11	107.988	C8	C10	H12	108.278
C8	C10	C13	113.755	H9	C8	C10	107.553
C10	C13	H14	111.069	C10	C13	H15	111.164
C10	C13	H16	110.986	H11	C10	H12	107.360
H11	C10	C13	109.778	H12	C10	C13	109.474
H14	C13	H15	107.359	H14	C13	H16	107.730
H15	C13	H16	108.379

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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