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	hartrees
Energy at 0K	-213.834294
Energy at 298.15K	-213.846837
HF Energy	-213.834294
Nuclear repulsion energy	193.570703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3413	0.82
2	A	3460	3339	3.16
3	A	3111	3002	41.16
4	A	3100	2992	45.71
5	A	3096	2987	48.90
6	A	3092	2984	31.77
7	A	3062	2955	9.94
8	A	3025	2919	18.18
9	A	3024	2918	54.42
10	A	3020	2915	18.12
11	A	2908	2806	76.10
12	A	1660	1602	31.43
13	A	1521	1468	5.16
14	A	1511	1458	2.30
15	A	1510	1457	2.59
16	A	1501	1449	1.96
17	A	1484	1432	0.38
18	A	1416	1366	5.45
19	A	1409	1360	1.26
20	A	1408	1358	4.88
21	A	1380	1331	14.37
22	A	1332	1285	6.96
23	A	1299	1254	1.92
24	A	1260	1216	0.39
25	A	1193	1151	1.70
26	A	1157	1116	10.20
27	A	1059	1021	1.39
28	A	1024	988	2.78
29	A	1011	975	5.53
30	A	974	940	1.54
31	A	945	912	17.71
32	A	872	842	94.31
33	A	807	778	1.04
34	A	759	732	1.82
35	A	462	446	5.72
36	A	438	423	5.53
37	A	357	345	1.40
38	A	285	275	30.98
39	A	244	235	0.27
40	A	219	212	9.21
41	A	216	208	4.48
42	A	96	93	1.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.568	1.379	-0.242
H2	-0.218	1.935	0.089
H3	1.398	1.843	0.121
C4	1.779	-0.719	-0.008
H5	1.920	-0.758	-1.094
H6	2.651	-0.216	0.428
H7	1.754	-1.742	0.381
C8	0.487	0.026	0.332
H9	0.378	0.038	1.433
C10	-0.733	-0.702	-0.248
H11	-0.615	-0.758	-1.338
H12	-0.729	-1.732	0.131
C13	-2.074	-0.043	0.092
H14	-2.910	-0.640	-0.285
H15	-2.159	0.952	-0.357
H16	-2.202	0.060	1.177

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0175	1.0181	2.4338	2.6688	2.7075	3.3962	1.4719	2.1543	2.4544	2.6773	3.3911	3.0183	4.0216	2.7617	3.3798
H2	1.0175		1.6194	3.3228	3.6361	3.6014	4.1824	2.0498	2.4007	2.7082	3.0730	3.7029	2.7122	3.7440	2.2202	2.9387
H3	1.0181	1.6194		2.5929	2.9176	2.4289	3.6114	2.0434	2.4542	3.3402	3.5980	4.1600	3.9512	4.9892	3.6976	4.1542
C4	2.4338	3.3228	2.5929		1.0952	1.0965	1.0948	1.5293	2.1482	2.5240	2.7394	2.7087	3.9129	4.6982	4.2919	4.2266
H5	2.6688	3.6361	2.9176	1.0952		1.7730	1.7802	2.1675	3.0654	2.7848	2.5468	3.0760	4.2265	4.8983	4.4834	4.7765
H6	2.7075	3.6014	2.4289	1.0965	1.7730		1.7706	2.1788	2.4983	3.4848	3.7521	3.7160	4.7392	5.6222	5.0108	4.9181
H7	3.3962	4.1824	3.6114	1.0948	1.7802	1.7706		2.1749	2.4834	2.7680	3.0881	2.4953	4.1973	4.8384	4.8072	4.4194
C8	1.4719	2.0498	2.0434	1.5293	2.1675	2.1788	2.1749		1.1071	1.5351	2.1489	2.1472	2.5731	3.5167	2.8868	2.8195
H9	2.1543	2.4007	2.4542	2.1482	3.0654	2.4983	2.4834	1.1071		2.1470	3.0494	2.4605	2.7952	3.7712	3.2364	2.5929
C10	2.4544	2.7082	3.3402	2.5240	2.7848	3.4848	2.7680	1.5351	2.1470		1.0972	1.0975	1.5320	2.1781	2.1867	2.1842
H11	2.6773	3.0730	3.5980	2.7394	2.5468	3.7521	3.0881	2.1489	3.0494	1.0972		1.7661	2.1639	2.5273	2.5037	3.0839
H12	3.3911	3.7029	4.1600	2.7087	3.0760	3.7160	2.4953	2.1472	2.4605	1.0975	1.7661		2.1593	2.4746	3.0804	2.5453
C13	3.0183	2.7122	3.9512	3.9129	4.2265	4.7392	4.1973	2.5731	2.7952	1.5320	2.1639	2.1593		1.0948	1.0956	1.0968
H14	4.0216	3.7440	4.9892	4.6982	4.8983	5.6222	4.8384	3.5167	3.7712	2.1781	2.5273	2.4746	1.0948		1.7624	1.7688
H15	2.7617	2.2202	3.6976	4.2919	4.4834	5.0108	4.8072	2.8868	3.2364	2.1867	2.5037	3.0804	1.0956	1.7624		1.7748
H16	3.3798	2.9387	4.1542	4.2266	4.7765	4.9181	4.4194	2.8195	2.5929	2.1842	3.0839	2.5453	1.0968	1.7688	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.361	N1	C8	H9	112.529
N1	C8	C10	109.401	H2	N1	H3	105.415
H2	N1	C8	109.505	H3	N1	C8	108.938
C4	C8	H9	108.065	C4	C8	C10	110.900
H5	C4	H6	107.989	H5	C4	H7	108.757
H5	C4	C8	110.255	H6	C4	H7	107.801
H6	C4	C8	111.070	H7	C4	C8	110.871
C8	C10	H11	108.295	C8	C10	H12	108.145
C8	C10	C13	114.051	H9	C8	C10	107.596
C10	C13	H14	110.929	C10	C13	H15	111.568
C10	C13	H16	111.295	H11	C10	H12	107.161
H11	C10	C13	109.664	H12	C10	C13	109.291
H14	C13	H15	107.143	H14	C13	H16	107.620
H15	C13	H16	108.093

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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