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	hartrees
Energy at 0K	-211.681425
Energy at 298.15K	-211.694137
HF Energy	-211.142003
Nuclear repulsion energy	191.806262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3450	3344	4.85
2	A	3360	3256	7.16
3	A	3107	3012	35.79
4	A	3096	3000	35.78
5	A	3085	2990	34.57
6	A	3081	2986	25.90
7	A	3070	2975	2.29
8	A	3027	2933	19.06
9	A	3020	2927	9.62
10	A	3020	2927	31.14
11	A	2927	2836	58.54
12	A	1744	1690	25.69
13	A	1589	1540	7.48
14	A	1580	1531	3.82
15	A	1577	1528	2.90
16	A	1569	1521	3.58
17	A	1550	1503	1.44
18	A	1470	1424	2.31
19	A	1466	1421	10.29
20	A	1442	1398	4.41
21	A	1428	1384	14.49
22	A	1387	1345	2.19
23	A	1347	1305	2.09
24	A	1297	1257	0.15
25	A	1226	1188	2.97
26	A	1174	1138	1.56
27	A	1073	1040	4.66
28	A	1039	1007	12.15
29	A	1026	994	2.22
30	A	1018	987	0.91
31	A	933	904	15.30
32	A	851	825	65.62
33	A	813	788	55.62
34	A	764	741	12.67
35	A	477	462	6.53
36	A	451	438	8.83
37	A	379	367	0.07
38	A	295	286	30.47
39	A	265	256	4.01
40	A	241	233	3.68
41	A	223	216	28.92
42	A	94	91	5.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.572	1.394	-0.232
H2	-0.218	1.972	0.078
H3	1.442	1.853	0.070
C4	1.796	-0.728	-0.010
H5	1.915	-0.713	-1.101
H6	2.665	-0.231	0.448
H7	1.763	-1.769	0.344
C8	0.486	0.013	0.354
H9	0.368	0.011	1.457
C10	-0.737	-0.709	-0.266
H11	-0.599	-0.705	-1.357
H12	-0.740	-1.754	0.082
C13	-2.095	-0.041	0.097
H14	-2.934	-0.629	-0.302
H15	-2.155	0.969	-0.333
H16	-2.210	0.029	1.189

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0272	1.0288	2.4599	2.6453	2.7356	3.4283	1.5028	2.1932	2.4781	2.6541	3.4255	3.0467	4.0489	2.7620	3.4102
H2	1.0272		1.6648	3.3698	3.6262	3.6475	4.2412	2.0996	2.4680	2.7526	3.0611	3.7627	2.7522	3.7795	2.2193	2.9966
H3	1.0288	1.6648		2.6062	2.8599	2.4453	3.6458	2.0924	2.5436	3.3804	3.5703	4.2157	4.0122	5.0448	3.7260	4.2333
C4	2.4599	3.3698	2.6062		1.0984	1.1012	1.0993	1.5485	2.1765	2.5461	2.7483	2.7368	3.9522	4.7401	4.3118	4.2497
H5	2.6453	3.6262	2.8599	1.0984		1.7877	1.7961	2.1650	3.0763	2.7803	2.5270	3.0872	4.2381	4.9149	4.4698	4.7763
H6	2.7356	3.6475	2.4453	1.1012	1.7877		1.7862	2.1950	2.5211	3.5094	3.7604	3.7481	4.7767	5.6635	5.0281	4.9386
H7	3.4283	4.2412	3.6458	1.0993	1.7961	1.7862		2.1923	2.5205	2.7829	3.0991	2.5160	4.2339	4.8763	4.8268	4.4420
C8	1.5028	2.0996	2.0924	1.5485	2.1650	2.1950	2.1923		1.1094	1.5502	2.1499	2.1681	2.5941	3.5413	2.8910	2.8228
H9	2.1932	2.4680	2.5436	2.1765	3.0763	2.5211	2.5205	1.1094		2.1702	3.0608	2.4966	2.8139	3.7959	3.2380	2.5921
C10	2.4781	2.7526	3.3804	2.5461	2.7803	3.5094	2.7829	1.5502	2.1702		1.0996	1.1017	1.5559	2.1987	2.1976	2.1985
H11	2.6541	3.0611	3.5703	2.7483	2.5270	3.7604	3.0991	2.1499	3.0608	1.0996		1.7870	2.1886	2.5631	2.5040	3.1013
H12	3.4255	3.7627	4.2157	2.7368	3.0872	3.7481	2.5160	2.1681	2.4966	1.1017	1.7870		2.1844	2.4963	3.0968	2.5628
C13	3.0467	2.7522	4.0122	3.9522	4.2381	4.7767	4.2339	2.5941	2.8139	1.5559	2.1886	2.1844		1.0996	1.0990	1.1011
H14	4.0489	3.7795	5.0448	4.7401	4.9149	5.6635	4.8763	3.5413	3.7959	2.1987	2.5631	2.4963	1.0996		1.7777	1.7838
H15	2.7620	2.2193	3.7260	4.3118	4.4698	5.0281	4.8268	2.8910	3.2380	2.1976	2.5040	3.0968	1.0990	1.7777		1.7897
H16	3.4102	2.9966	4.2333	4.2497	4.7763	4.9386	4.4420	2.8228	2.5921	2.1985	3.1013	2.5628	1.1011	1.7838	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	107.442	N1	C8	H9	113.336
N1	C8	C10	108.514	H2	N1	H3	108.136
H2	N1	C8	110.771	H3	N1	C8	110.075
C4	C8	H9	108.821	C4	C8	C10	110.502
H5	C4	H6	108.736	H5	C4	H7	109.625
H5	C4	C8	108.564	H6	C4	H7	108.526
H6	C4	C8	110.735	H7	C4	C8	110.629
C8	C10	H11	107.231	C8	C10	H12	108.500
C8	C10	C13	113.269	H9	C8	C10	108.231
C10	C13	H14	110.614	C10	C13	H15	110.558
C10	C13	H16	110.508	H11	C10	H12	108.536
H11	C10	C13	109.816	H12	C10	C13	109.368
H14	C13	H15	107.908	H14	C13	H16	108.300
H15	C13	H16	108.873

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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