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	hartrees
Energy at 0K	-38.685177
Energy at 298.15K	-38.697911
HF Energy	-38.027423
Nuclear repulsion energy	112.177619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3602	3420	0.05
2	A	3501	3324	0.70
3	A	3190	3028	48.83
4	A	3183	3022	43.70
5	A	3173	3012	53.10
6	A	3170	3010	31.73
7	A	3154	2994	7.48
8	A	3088	2932	30.87
9	A	3078	2922	37.81
10	A	3075	2920	27.55
11	A	3016	2863	74.16
12	A	1705	1619	46.95
13	A	1540	1462	10.79
14	A	1528	1450	1.40
15	A	1526	1449	7.92
16	A	1518	1441	4.75
17	A	1504	1428	1.07
18	A	1464	1390	4.68
19	A	1440	1368	12.83
20	A	1433	1361	6.56
21	A	1403	1332	11.13
22	A	1352	1284	2.06
23	A	1323	1256	1.89
24	A	1280	1216	0.58
25	A	1224	1162	2.00
26	A	1183	1123	15.99
27	A	1097	1041	1.17
28	A	1061	1007	2.69
29	A	1039	986	8.96
30	A	998	948	5.36
31	A	973	923	30.43
32	A	923	876	85.94
33	A	834	792	1.11
34	A	779	739	0.13
35	A	480	455	8.32
36	A	452	430	7.31
37	A	376	357	0.17
38	A	312	296	44.41
39	A	263	250	2.38
40	A	233	221	3.53
41	A	221	210	13.48
42	A	112	107	2.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.558	1.389	-0.245
H2	-0.226	1.949	0.110
H3	1.404	1.851	0.110
C4	1.792	-0.716	-0.011
H5	1.914	-0.751	-1.108
H6	2.670	-0.200	0.421
H7	1.774	-1.748	0.381
C8	0.487	0.022	0.340
H9	0.379	0.044	1.449
C10	-0.731	-0.718	-0.245
H11	-0.602	-0.779	-1.342
H12	-0.731	-1.751	0.153
C13	-2.081	-0.042	0.088
H14	-2.927	-0.667	-0.252
H15	-2.172	0.938	-0.413
H16	-2.188	0.110	1.179

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0262	1.0270	2.4511	2.6771	2.7258	3.4229	1.4887	2.1703	2.4707	2.6926	3.4181	3.0209	4.0461	2.7723	3.3469
H2	1.0262		1.6327	3.3445	3.6543	3.6194	4.2124	2.0674	2.4055	2.7379	3.1129	3.7348	2.7219	3.7774	2.2548	2.8938
H3	1.0270	1.6327		2.5987	2.9180	2.4304	3.6286	2.0589	2.4719	3.3597	3.6122	4.1878	3.9664	5.0226	3.7278	4.1322
C4	2.4511	3.3445	2.5987		1.1043	1.1063	1.1049	1.5393	2.1696	2.5341	2.7394	2.7323	3.9326	4.7251	4.3138	4.2350
H5	2.6771	3.6543	2.9180	1.1043		1.7928	1.7978	2.1752	3.0872	2.7832	2.5273	3.0970	4.2308	4.9171	4.4761	4.7749
H6	2.7258	3.6194	2.4304	1.1063	1.7928		1.7890	2.1954	2.5230	3.5045	3.7615	3.7476	4.7655	5.6563	5.0434	4.9260
H7	3.4229	4.2124	3.6286	1.1049	1.7978	1.7890		2.1892	2.5104	2.7807	3.0911	2.5158	4.2265	4.8654	4.8395	4.4484
C8	1.4887	2.0674	2.0589	1.5393	2.1752	2.1954	2.1892		1.1147	1.5412	2.1577	2.1595	2.5816	3.5327	2.9116	2.8048
H9	2.1703	2.4055	2.4719	2.1696	3.0872	2.5230	2.5104	1.1147		2.1641	3.0705	2.4765	2.8125	3.7847	3.2819	2.5813
C10	2.4707	2.7379	3.3597	2.5341	2.7832	3.5045	2.7807	1.5412	2.1641		1.1060	1.1073	1.5461	2.1961	2.2015	2.1989
H11	2.6926	3.1129	3.6122	2.7394	2.5273	3.7615	3.0911	2.1577	3.0705	1.1060		1.7885	2.1855	2.5702	2.5052	3.1079
H12	3.4181	3.7348	4.1878	2.7323	3.0970	3.7476	2.5158	2.1595	2.4765	1.1073	1.7885		2.1790	2.4823	3.1030	2.5762
C13	3.0209	2.7219	3.9664	3.9326	4.2308	4.7655	4.2265	2.5816	2.8125	1.5461	2.1855	2.1790		1.1047	1.1043	1.1065
H14	4.0461	3.7774	5.0226	4.7251	4.9171	5.6563	4.8654	3.5327	3.7847	2.1961	2.5702	2.4823	1.1047		1.7804	1.7879
H15	2.7723	2.2548	3.7278	4.3138	4.4761	5.0434	4.8395	2.9116	3.2819	2.2015	2.5052	3.1030	1.1043	1.7804		1.7941
H16	3.3469	2.8938	4.1322	4.2350	4.7749	4.9260	4.4484	2.8048	2.5813	2.1989	3.1079	2.5762	1.1065	1.7879	1.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.077	N1	C8	H9	112.153
N1	C8	C10	109.249	H2	N1	H3	105.346
H2	N1	C8	109.204	H3	N1	C8	108.459
C4	C8	H9	108.610	C4	C8	C10	110.695
H5	C4	H6	108.388	H5	C4	H7	108.933
H5	C4	C8	109.633	H6	C4	H7	108.011
H6	C4	C8	111.107	H7	C4	C8	110.703
C8	C10	H11	108.070	C8	C10	H12	108.131
C8	C10	C13	113.484	H9	C8	C10	108.070
C10	C13	H14	110.776	C10	C13	H15	111.227
C10	C13	H16	110.894	H11	C10	H12	107.818
H11	C10	C13	109.875	H12	C10	C13	109.295
H14	C13	H15	107.405	H14	C13	H16	107.911
H15	C13	H16	108.490

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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