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	hartrees
Energy at 0K	-213.008830
Energy at 298.15K	-213.021689
HF Energy	-212.315334
Nuclear repulsion energy	193.959364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3410	0.29
2	A	3517	3317	0.27
3	A	3194	3012	24.56
4	A	3186	3005	31.23
5	A	3179	2998	49.20
6	A	3175	2994	9.73
7	A	3134	2956	32.63
8	A	3109	2932	13.71
9	A	3093	2916	16.37
10	A	3090	2914	21.30
11	A	3012	2840	61.96
12	A	1727	1628	34.21
13	A	1581	1491	14.73
14	A	1568	1479	2.38
15	A	1566	1477	2.56
16	A	1558	1469	2.34
17	A	1551	1463	1.16
18	A	1480	1396	11.13
19	A	1465	1382	0.41
20	A	1457	1374	9.00
21	A	1421	1340	0.49
22	A	1389	1309	0.07
23	A	1353	1276	6.03
24	A	1273	1201	0.23
25	A	1241	1170	2.57
26	A	1214	1145	5.90
27	A	1128	1063	2.42
28	A	1120	1056	10.57
29	A	1004	947	0.38
30	A	980	924	13.03
31	A	968	913	60.68
32	A	958	903	3.79
33	A	892	841	74.81
34	A	829	782	2.24
35	A	496	468	7.27
36	A	430	405	0.63
37	A	374	353	1.45
38	A	303	286	21.51
39	A	273	258	8.43
40	A	249	235	20.79
41	A	233	219	13.47
42	A	129	122	4.68

Atom	x (Å)	y (Å)	z (Å)
N1	-1.993	-0.029	-0.188
H2	-2.792	-0.608	0.065
H3	-2.103	0.838	0.335
C4	-0.758	-0.699	0.230
H5	-0.636	-0.769	1.326
H6	-0.790	-1.725	-0.152
C7	1.734	-0.766	0.030
H8	1.868	-0.778	1.117
H9	1.690	-1.803	-0.317
H10	2.619	-0.298	-0.411
C11	0.554	1.450	0.109
H12	1.450	1.932	-0.294
H13	-0.312	2.026	-0.230
H14	0.605	1.507	1.203
C15	0.469	-0.003	-0.349
H16	0.356	-0.014	-1.441

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0188	1.0183	1.4662	2.1643	2.0798	3.8052	4.1444	4.0903	4.6255	2.9595	3.9629	2.6548	3.3235	2.4670	2.6615
H2	1.0188		1.6238	2.0427	2.5029	2.3023	4.5285	4.7804	4.6543	5.4408	3.9277	4.9565	3.6293	4.1603	3.3420	3.5392
H3	1.0183	1.6238		2.0450	2.3914	2.9206	4.1699	4.3585	4.6680	4.9142	2.7356	3.7702	2.2222	2.9218	2.7909	3.1501
C4	1.4662	2.0427	2.0450		1.1053	1.0960	2.5005	2.7731	2.7408	3.4607	2.5199	3.4736	2.7988	2.7697	1.5247	2.1213
H5	2.1643	2.5029	2.3914	1.1053		1.7676	2.7011	2.5129	3.0300	3.7199	2.7964	3.7775	3.2154	2.5959	2.1485	3.0348
H6	2.0798	2.3023	2.9206	1.0960	1.7676		2.7067	3.0950	2.4874	3.7055	3.4577	4.2908	3.7824	3.7730	2.1430	2.4296
C7	3.8052	4.5285	4.1699	2.5005	2.7011	2.7067		1.0958	1.0948	1.0943	2.5116	2.7317	3.4709	2.7961	1.5255	2.1513
H8	4.1444	4.7804	4.3585	2.7731	2.5129	3.0950	1.0958		1.7723	1.7696	2.7764	3.0839	3.7989	2.6129	2.1708	3.0687
H9	4.0903	4.6543	4.6680	2.7408	3.0300	2.4874	1.0948	1.7723		1.7712	3.4721	3.7426	4.3219	3.8013	2.1761	2.4992
H10	4.6255	5.4408	4.9142	3.4607	3.7199	3.7055	1.0943	1.7696	1.7712		2.7557	2.5208	3.7454	3.1503	2.1717	2.5030
C11	2.9595	3.9277	2.7356	2.5199	2.7964	3.4577	2.5116	2.7764	3.4721	2.7557		1.0944	1.0937	1.0966	1.5253	2.1406
H12	3.9629	4.9565	3.7702	3.4736	3.7775	4.2908	2.7317	3.0839	3.7426	2.5208	1.0944		1.7654	1.7704	2.1694	2.5091
H13	2.6548	3.6293	2.2222	2.7988	3.2154	3.7824	3.4709	3.7989	4.3219	3.7454	1.0937	1.7654		1.7784	2.1768	2.4641
H14	3.3235	4.1603	2.9218	2.7697	2.5959	3.7730	2.7961	2.6129	3.8013	3.1503	1.0966	1.7704	1.7784		2.1700	3.0602
C15	2.4670	3.3420	2.7909	1.5247	2.1485	2.1430	1.5255	2.1708	2.1761	2.1717	1.5253	2.1694	2.1768	2.1700		1.0971
H16	2.6615	3.5392	3.1501	2.1213	3.0348	2.4296	2.1513	3.0687	2.4992	2.5030	2.1406	2.5091	2.4641	3.0602	1.0971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.901	N1	C4	H6	107.654
N1	C4	C15	111.129	H2	N1	H3	105.718
H2	N1	C4	109.252	H3	N1	C4	109.480
C4	C15	C7	110.126	C4	C15	C11	111.421
C4	C15	H16	106.886	H5	C4	H6	106.836
H5	C4	C15	108.507	H6	C4	C15	108.610
C7	C15	C11	110.823	C7	C15	H16	109.138
H8	C7	H9	108.000	H8	C7	H10	107.803
H8	C7	C15	110.745	H9	C7	H10	108.013
H9	C7	C15	111.231	H10	C7	C15	110.913
C11	C15	H16	108.325	H12	C11	H13	107.577
H12	C11	H14	107.805	H12	C11	C15	110.735
H13	C11	H14	108.567	H13	C11	C15	111.373
H14	C11	C15	110.652

All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)

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 C(NH2)H2C(CH3)HCH3 (1-Propanamine, 2-methyl-)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)