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	hartrees
Energy at 0K	-213.193724
Energy at 298.15K	-213.206482
HF Energy	-212.392665
Nuclear repulsion energy	194.473753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3449	1.46
2	A	3542	3357	0.04
3	A	3169	3004	26.24
4	A	3163	2999	33.00
5	A	3155	2990	57.13
6	A	3149	2985	11.94
7	A	3122	2959	30.79
8	A	3093	2932	13.61
9	A	3068	2909	22.11
10	A	3064	2904	24.23
11	A	3001	2845	61.56
12	A	1657	1571	34.19
13	A	1539	1459	16.19
14	A	1525	1446	3.73
15	A	1523	1444	1.88
16	A	1513	1434	1.65
17	A	1505	1427	2.09
18	A	1456	1380	11.57
19	A	1434	1360	1.68
20	A	1422	1348	8.37
21	A	1390	1318	0.53
22	A	1361	1290	0.29
23	A	1332	1262	5.49
24	A	1249	1184	0.05
25	A	1217	1153	0.88
26	A	1194	1132	5.66
27	A	1107	1049	1.98
28	A	1103	1045	14.00
29	A	989	938	0.35
30	A	964	914	2.00
31	A	947	898	14.01
32	A	940	891	29.08
33	A	867	822	89.23
34	A	820	777	3.85
35	A	490	464	7.15
36	A	423	401	0.24
37	A	365	346	0.64
38	A	285	270	9.83
39	A	268	254	6.63
40	A	235	223	14.51
41	A	208	197	23.28
42	A	127	120	4.41

Atom	x (Å)	y (Å)	z (Å)
N1	-2.038	-0.017	-0.197
H2	-2.830	-0.512	0.202
H3	-2.079	0.920	0.186
C4	-0.783	-0.662	0.237
H5	-0.666	-0.689	1.328
H6	-0.819	-1.692	-0.120
C7	1.700	-0.824	0.025
H8	1.823	-0.838	1.108
H9	1.604	-1.853	-0.326
H10	2.600	-0.395	-0.418
C11	0.646	1.446	0.117
H12	1.556	1.871	-0.305
H13	-0.182	2.083	-0.188
H14	0.730	1.472	1.206
C15	0.465	-0.001	-0.354
H16	0.361	-0.009	-1.441

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0159	1.0129	1.4759	2.1582	2.0733	3.8301	4.1568	4.0805	4.6579	3.0722	4.0609	2.8023	3.4412	2.5074	2.7020
H2	1.0159		1.6170	2.0529	2.4456	2.3543	4.5442	4.7512	4.6626	5.4661	3.9900	5.0174	3.7279	4.1969	3.3802	3.6242
H3	1.0129	1.6170		2.0456	2.4271	2.9164	4.1648	4.3776	4.6385	4.8971	2.7756	3.7893	2.2560	3.0386	2.7587	3.0759
C4	1.4759	2.0529	2.0456		1.0978	1.0909	2.4972	2.7531	2.7264	3.4555	2.5491	3.4899	2.8420	2.7892	1.5303	2.1328
H5	2.1582	2.4456	2.4271	1.0978		1.7678	2.7047	2.5028	3.0402	3.7147	2.7834	3.7631	3.1969	2.5757	2.1403	3.0305
H6	2.0733	2.3543	2.9164	1.0909	1.7678		2.6681	3.0355	2.4369	3.6680	3.4711	4.2860	3.8293	3.7638	2.1356	2.4432
C7	3.8301	4.5442	4.1648	2.4972	2.7047	2.6681		1.0909	1.0914	1.0901	2.5043	2.7183	3.4696	2.7579	1.5313	2.1456
H8	4.1568	4.7512	4.3776	2.7531	2.5028	3.0355	1.0909		1.7704	1.7689	2.7542	3.0671	3.7728	2.5573	2.1638	3.0533
H9	4.0805	4.6626	4.6385	2.7264	3.0402	2.4369	1.0914	1.7704		1.7673	3.4638	3.7240	4.3247	3.7635	2.1742	2.4878
H10	4.6579	5.4661	4.8971	3.4555	3.7147	3.6680	1.0901	1.7689	1.7673		2.7377	2.4973	3.7329	3.1015	2.1717	2.4914
C11	3.0722	3.9900	2.7756	2.5491	2.7834	3.4711	2.5043	2.7542	3.4638	2.7377		1.0899	1.0883	1.0925	1.5328	2.1506
H12	4.0609	5.0174	3.7893	3.4899	3.7631	4.2860	2.7183	3.0671	3.7240	2.4973	1.0899		1.7554	1.7680	2.1676	2.5004
H13	2.8023	3.7279	2.2560	2.8420	3.1969	3.8293	3.4696	3.7728	4.3247	3.7329	1.0883	1.7554		1.7744	2.1890	2.4985
H14	3.4412	4.1969	3.0386	2.7892	2.5757	3.7638	2.7579	2.5573	3.7635	3.1015	1.0925	1.7680	1.7744		2.1618	3.0552
C15	2.5074	3.3802	2.7587	1.5303	2.1403	2.1356	1.5313	2.1638	2.1742	2.1717	1.5328	2.1676	2.1890	2.1618		1.0919
H16	2.7020	3.6242	3.0759	2.1328	3.0305	2.4432	2.1456	3.0533	2.4878	2.4914	2.1506	2.5004	2.4985	3.0552	1.0919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.163	N1	C4	H6	106.790
N1	C4	C15	113.028	H2	N1	H3	105.699
H2	N1	C4	109.560	H3	N1	C4	109.143
C4	C15	C7	109.299	C4	C15	C11	112.654
C4	C15	H16	107.674	H5	C4	H6	107.742
H5	C4	C15	107.926	H6	C4	C15	107.949
C7	C15	C11	109.634	C7	C15	H16	108.598
H8	C7	H9	108.433	H8	C7	H10	108.400
H8	C7	C15	110.078	H9	C7	H10	108.219
H9	C7	C15	110.874	H10	C7	C15	110.757
C11	C15	H16	108.885	H12	C11	H13	107.391
H12	C11	H14	108.212	H12	C11	C15	110.336
H13	C11	H14	108.910	H13	C11	C15	112.154
H14	C11	C15	109.729

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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