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	hartrees
Energy at 0K	-213.095199
Energy at 298.15K	-213.107974
HF Energy	-212.334916
Nuclear repulsion energy	193.271061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3600	3429	0.17
2	A	3511	3344	0.75
3	A	3178	3027	23.53
4	A	3171	3020	29.13
5	A	3163	3013	49.04
6	A	3159	3009	9.45
7	A	3114	2966	36.37
8	A	3087	2941	13.22
9	A	3069	2923	21.79
10	A	3066	2920	25.98
11	A	2990	2848	65.55
12	A	1654	1575	22.99
13	A	1513	1441	13.63
14	A	1501	1430	2.50
15	A	1498	1427	2.79
16	A	1488	1418	1.80
17	A	1483	1412	1.41
18	A	1435	1367	7.29
19	A	1409	1342	2.45
20	A	1402	1335	7.54
21	A	1372	1307	0.36
22	A	1351	1287	0.37
23	A	1312	1250	6.25
24	A	1240	1181	0.11
25	A	1212	1154	1.68
26	A	1184	1128	4.88
27	A	1111	1058	7.10
28	A	1108	1056	5.86
29	A	977	931	1.00
30	A	965	919	20.68
31	A	953	908	54.22
32	A	927	883	0.80
33	A	881	839	41.31
34	A	822	783	1.60
35	A	487	464	6.88
36	A	417	398	0.44
37	A	361	344	1.05
38	A	295	281	15.23
39	A	266	254	3.74
40	A	244	232	15.55
41	A	225	214	16.45
42	A	123	117	4.26

Atom	x (Å)	y (Å)	z (Å)
N1	-2.001	-0.026	-0.193
H2	-2.795	-0.612	0.079
H3	-2.115	0.821	0.369
C4	-0.764	-0.700	0.227
H5	-0.639	-0.775	1.331
H6	-0.797	-1.735	-0.159
C7	1.742	-0.769	0.032
H8	1.880	-0.771	1.129
H9	1.696	-1.819	-0.305
H10	2.637	-0.307	-0.418
C11	0.556	1.456	0.108
H12	1.463	1.944	-0.288
H13	-0.314	2.037	-0.240
H14	0.598	1.514	1.212
C15	0.472	-0.003	-0.351
H16	0.362	-0.014	-1.452

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0233	1.0233	1.4697	2.1774	2.0903	3.8227	4.1670	4.1105	4.6517	2.9707	3.9859	2.6663	3.3318	2.4788	2.6775
H2	1.0233		1.6128	2.0374	2.4982	2.3032	4.5394	4.7934	4.6657	5.4624	3.9374	4.9791	3.6440	4.1608	3.3510	3.5588
H3	1.0233	1.6128		2.0389	2.3776	2.9235	4.1853	4.3668	4.6849	4.9465	2.7575	3.8066	2.2572	2.9239	2.8095	3.1857
C4	1.4697	2.0374	2.0389		1.1142	1.1049	2.5148	2.7946	2.7549	3.4838	2.5305	3.4947	2.8131	2.7794	1.5327	2.1350
H5	2.1774	2.4982	2.3776	1.1142		1.7793	2.7125	2.5272	3.0365	3.7430	2.8113	3.7993	3.2385	2.6047	2.1596	3.0547
H6	2.0903	2.3032	2.9235	1.1049	1.7793		2.7234	3.1231	2.4992	3.7282	3.4758	4.3192	3.8040	3.7917	2.1558	2.4451
C7	3.8227	4.5394	4.1853	2.5148	2.7125	2.7234		1.1051	1.1038	1.1031	2.5223	2.7459	3.4893	2.8125	1.5313	2.1630
H8	4.1670	4.7934	4.3668	2.7946	2.5272	3.1231	1.1051		1.7854	1.7831	2.7843	3.0904	3.8171	2.6207	2.1817	3.0885
H9	4.1105	4.6657	4.6849	2.7549	3.0365	2.4992	1.1038	1.7854		1.7846	3.4921	3.7701	4.3492	3.8226	2.1900	2.5210
H10	4.6517	5.4624	4.9465	3.4838	3.7430	3.7282	1.1031	1.7831	1.7846		2.7770	2.5415	3.7723	3.1819	2.1863	2.5162
C11	2.9707	3.9374	2.7575	2.5305	2.8113	3.4758	2.5223	2.7843	3.4921	2.7770		1.1033	1.1024	1.1062	1.5319	2.1522
H12	3.9859	4.9791	3.8066	3.4947	3.7993	4.3192	2.7459	3.0904	3.7701	2.5415	1.1033		1.7793	1.7840	2.1853	2.5297
H13	2.6663	3.6440	2.2572	2.8131	3.2385	3.8040	3.4893	3.8171	4.3492	3.7723	1.1024	1.7793		1.7924	2.1898	2.4768
H14	3.3318	4.1608	2.9239	2.7794	2.6047	3.7917	2.8125	2.6207	3.8226	3.1819	1.1062	1.7840	1.7924		2.1817	3.0800
C15	2.4788	3.3510	2.8095	1.5327	2.1596	2.1558	1.5313	2.1817	2.1900	2.1863	1.5319	2.1853	2.1898	2.1817		1.1066
H16	2.6775	3.5588	3.1857	2.1350	3.0547	2.4451	2.1630	3.0885	2.5210	2.5162	2.1522	2.5297	2.4768	3.0800	1.1066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	114.149	N1	C4	H6	107.723
N1	C4	C15	111.284	H2	N1	H3	104.000
H2	N1	C4	108.293	H3	N1	C4	108.414
C4	C15	C7	110.320	C4	C15	C11	111.322
C4	C15	H16	106.873	H5	C4	H6	106.597
H5	C4	C15	108.310	H6	C4	C15	108.548
C7	C15	C11	110.860	C7	C15	H16	109.105
H8	C7	H9	107.859	H8	C7	H10	107.702
H8	C7	C15	110.656	H9	C7	H10	107.934
H9	C7	C15	111.396	H10	C7	C15	111.141
C11	C15	H16	108.232	H12	C11	H13	107.543
H12	C11	H14	107.690	H12	C11	C15	111.002
H13	C11	H14	108.498	H13	C11	C15	111.417
H14	C11	C15	110.550

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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