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	hartrees
Energy at 0K	-213.031413
Energy at 298.15K	-213.044281
HF Energy	-212.315379
Nuclear repulsion energy	194.135341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3408	0.32
2	A	3519	3316	0.26
3	A	3196	3011	24.47
4	A	3188	3004	30.74
5	A	3181	2997	48.74
6	A	3176	2993	9.67
7	A	3135	2954	32.54
8	A	3110	2930	13.84
9	A	3094	2915	16.18
10	A	3091	2913	21.11
11	A	3011	2837	62.19
12	A	1728	1628	34.53
13	A	1582	1490	14.97
14	A	1569	1478	2.39
15	A	1567	1477	2.67
16	A	1559	1469	2.37
17	A	1552	1462	1.16
18	A	1481	1396	11.28
19	A	1467	1382	0.41
20	A	1459	1374	9.21
21	A	1422	1340	0.47
22	A	1390	1310	0.09
23	A	1355	1276	5.86
24	A	1274	1201	0.22
25	A	1242	1170	2.54
26	A	1216	1145	5.79
27	A	1129	1064	2.36
28	A	1122	1057	10.76
29	A	1006	947	0.39
30	A	981	924	11.21
31	A	969	913	60.74
32	A	959	904	4.28
33	A	892	841	77.10
34	A	831	783	2.31
35	A	497	469	7.26
36	A	431	406	0.63
37	A	376	354	1.45
38	A	304	286	21.33
39	A	274	258	8.14
40	A	250	235	20.70
41	A	233	220	14.01
42	A	129	122	4.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.996	-0.026	-0.188
H2	-2.796	-0.612	0.047
H3	-2.119	0.833	0.345
C4	-0.760	-0.693	0.231
H5	-0.641	-0.762	1.328
H6	-0.797	-1.722	-0.146
C7	1.733	-0.771	0.029
H8	1.872	-0.777	1.116
H9	1.683	-1.811	-0.310
H10	2.620	-0.313	-0.419
C11	0.562	1.450	0.108
H12	1.464	1.926	-0.287
H13	-0.296	2.032	-0.239
H14	0.605	1.509	1.202
C15	0.470	-0.003	-0.348
H16	0.356	-0.015	-1.439

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0187	1.0180	1.4661	2.1627	2.0776	3.8090	4.1510	4.0912	4.6306	2.9679	3.9743	2.6701	3.3248	2.4715	2.6641
H2	1.0187		1.6229	2.0451	2.5107	2.2943	4.5311	4.7915	4.6499	5.4434	3.9402	4.9697	3.6498	4.1705	3.3452	3.5352
H3	1.0180	1.6229		2.0461	2.3858	2.9175	4.1838	4.3718	4.6763	4.9343	2.7606	3.7988	2.2586	2.9342	2.8069	3.1661
C4	1.4661	2.0451	2.0461		1.1050	1.0957	2.5026	2.7786	2.7407	3.4630	2.5212	3.4755	2.8045	2.7667	1.5253	2.1207
H5	2.1627	2.5107	2.3858	1.1050		1.7653	2.7062	2.5227	3.0306	3.7264	2.7978	3.7770	3.2219	2.5932	2.1494	3.0346
H6	2.0776	2.2943	2.9175	1.0957	1.7653		2.7078	3.0996	2.4868	3.7054	3.4593	4.2938	3.7881	3.7702	2.1446	2.4319
C7	3.8090	4.5311	4.1838	2.5026	2.7062	2.7078		1.0955	1.0946	1.0940	2.5118	2.7287	3.4705	2.8007	1.5255	2.1500
H8	4.1510	4.7915	4.3718	2.7786	2.5227	3.0996	1.0955		1.7711	1.7684	2.7731	3.0720	3.7980	2.6146	2.1698	3.0669
H9	4.0912	4.6499	4.6763	2.7407	3.0306	2.4868	1.0946	1.7711		1.7697	3.4729	3.7431	4.3229	3.8032	2.1774	2.5021
H10	4.6306	5.4434	4.9343	3.4630	3.7264	3.7054	1.0940	1.7684	1.7697		2.7604	2.5230	3.7460	3.1628	2.1732	2.5009
C11	2.9679	3.9402	2.7606	2.5212	2.7978	3.4593	2.5118	2.7731	3.4729	2.7604		1.0941	1.0930	1.0965	1.5252	2.1401
H12	3.9743	4.9697	3.7988	3.4755	3.7770	4.2938	2.7287	3.0720	3.7431	2.5230	1.0941		1.7640	1.7688	2.1709	2.5145
H13	2.6701	3.6498	2.2586	2.8045	3.2219	3.7881	3.4705	3.7980	4.3229	3.7460	1.0930	1.7640		1.7779	2.1771	2.4609
H14	3.3248	4.1705	2.9342	2.7667	2.5932	3.7702	2.8007	2.6146	3.8032	3.1628	1.0965	1.7688	1.7779		2.1691	3.0590
C15	2.4715	3.3452	2.8069	1.5253	2.1494	2.1446	1.5255	2.1698	2.1774	2.1732	1.5252	2.1709	2.1771	2.1691		1.0969
H16	2.6641	3.5352	3.1661	2.1207	3.0346	2.4319	2.1500	3.0669	2.5021	2.5009	2.1401	2.5145	2.4609	3.0590	1.0969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.785	N1	C4	H6	107.504
N1	C4	C15	111.409	H2	N1	H3	105.651
H2	N1	C4	109.460	H3	N1	C4	109.589
C4	C15	C7	110.236	C4	C15	C11	111.480
C4	C15	H16	106.807	H5	C4	H6	106.667
H5	C4	C15	108.552	H6	C4	C15	108.709
C7	C15	C11	110.846	C7	C15	H16	109.044
H8	C7	H9	107.936	H8	C7	H10	107.738
H8	C7	C15	110.689	H9	C7	H10	107.925
H9	C7	C15	111.353	H10	C7	C15	111.052
C11	C15	H16	108.296	H12	C11	H13	107.514
H12	C11	H14	107.691	H12	C11	C15	110.883
H13	C11	H14	108.581	H13	C11	C15	111.439
H14	C11	C15	110.593

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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