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	hartrees
Energy at 0K	-213.126142
Energy at 298.15K	-213.139007
HF Energy	-212.337101
Nuclear repulsion energy	194.531270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3680	3439	0.23
2	A	3581	3346	0.39
3	A	3227	3015	25.66
4	A	3219	3008	31.20
5	A	3212	3001	51.31
6	A	3207	2997	9.85
7	A	3162	2954	34.88
8	A	3137	2931	13.71
9	A	3118	2913	17.73
10	A	3115	2911	23.34
11	A	3038	2839	63.22
12	A	1702	1590	29.87
13	A	1579	1475	12.19
14	A	1567	1464	2.36
15	A	1563	1460	1.49
16	A	1555	1453	1.78
17	A	1549	1448	1.22
18	A	1478	1381	10.80
19	A	1463	1367	0.64
20	A	1453	1358	6.74
21	A	1419	1326	0.66
22	A	1387	1296	0.03
23	A	1353	1264	6.95
24	A	1271	1188	0.11
25	A	1240	1158	1.63
26	A	1212	1133	5.66
27	A	1125	1051	3.07
28	A	1122	1048	9.53
29	A	1003	938	0.41
30	A	979	915	3.10
31	A	961	898	43.22
32	A	955	893	12.63
33	A	883	825	83.35
34	A	830	775	3.04
35	A	496	464	7.36
36	A	427	399	0.47
37	A	372	348	1.38
38	A	303	283	19.34
39	A	272	254	7.22
40	A	249	233	19.34
41	A	232	217	13.81
42	A	128	120	4.29

Atom	x (Å)	y (Å)	z (Å)
N1	-1.994	-0.026	-0.186
H2	-2.787	-0.611	0.048
H3	-2.114	0.823	0.352
C4	-0.759	-0.696	0.227
H5	-0.638	-0.769	1.318
H6	-0.795	-1.718	-0.153
C7	1.734	-0.767	0.031
H8	1.870	-0.770	1.113
H9	1.686	-1.802	-0.304
H10	2.616	-0.309	-0.414
C11	0.556	1.449	0.107
H12	1.454	1.926	-0.283
H13	-0.300	2.024	-0.240
H14	0.595	1.506	1.196
C15	0.471	-0.003	-0.348
H16	0.361	-0.015	-1.435

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0133	1.0129	1.4639	2.1571	2.0732	3.8064	4.1438	4.0877	4.6237	2.9603	3.9632	2.6602	3.3109	2.4700	2.6656
H2	1.0133		1.6136	2.0379	2.5017	2.2879	4.5237	4.7805	4.6427	5.4311	3.9276	4.9533	3.6353	4.1526	3.3381	3.5310
H3	1.0129	1.6136		2.0392	2.3767	2.9071	4.1758	4.3582	4.6654	4.9235	2.7534	3.7881	2.2548	2.9188	2.8027	3.1659
C4	1.4639	2.0379	2.0392		1.1000	1.0911	2.5016	2.7756	2.7362	3.4569	2.5185	3.4686	2.7975	2.7608	1.5245	2.1172
H5	2.1571	2.5017	2.3767	1.1000		1.7576	2.6984	2.5167	3.0169	3.7147	2.7952	3.7689	3.2164	2.5912	2.1434	3.0247
H6	2.0732	2.2879	2.9071	1.0911	1.7576		2.7076	3.0991	2.4870	3.6990	3.4523	4.2836	3.7751	3.7613	2.1400	2.4246
C7	3.8064	4.5237	4.1758	2.5016	2.6984	2.7076		1.0905	1.0894	1.0888	2.5104	2.7258	3.4638	2.7968	1.5240	2.1447
H8	4.1438	4.7805	4.3582	2.7756	2.5167	3.0991	1.0905		1.7631	1.7606	2.7682	3.0646	3.7877	2.6107	2.1639	3.0564
H9	4.0877	4.6427	4.6654	2.7362	3.0169	2.4870	1.0894	1.7631		1.7621	3.4664	3.7357	4.3114	3.7935	2.1718	2.4959
H10	4.6237	5.4311	4.9235	3.4569	3.7147	3.6990	1.0888	1.7606	1.7621		2.7577	2.5229	3.7383	3.1580	2.1676	2.4926
C11	2.9603	3.9276	2.7534	2.5185	2.7952	3.4523	2.5104	2.7682	3.4664	2.7577		1.0889	1.0880	1.0915	1.5239	2.1351
H12	3.9632	4.9533	3.7881	3.4686	3.7689	4.2836	2.7258	3.0646	3.7357	2.5229	1.0889		1.7568	1.7610	2.1661	2.5078
H13	2.6602	3.6353	2.2548	2.7975	3.2164	3.7751	3.4638	3.7877	4.3114	3.7383	1.0880	1.7568		1.7697	2.1712	2.4539
H14	3.3109	4.1526	2.9188	2.7608	2.5912	3.7613	2.7968	2.6107	3.7935	3.1580	1.0915	1.7610	1.7697		2.1632	3.0485
C15	2.4700	3.3381	2.8027	1.5245	2.1434	2.1400	1.5240	2.1639	2.1718	2.1676	1.5239	2.1661	2.1712	2.1632		1.0924
H16	2.6656	3.5310	3.1659	2.1172	3.0247	2.4246	2.1447	3.0564	2.4959	2.4926	2.1351	2.5078	2.4539	3.0485	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.804	N1	C4	H6	107.580
N1	C4	C15	111.469	H2	N1	H3	105.567
H2	N1	C4	109.356	H3	N1	C4	109.491
C4	C15	C7	110.288	C4	C15	C11	111.417
C4	C15	H16	106.840	H5	C4	H6	106.672
H5	C4	C15	108.425	H6	C4	C15	108.674
C7	C15	C11	110.909	C7	C15	H16	108.997
H8	C7	H9	107.959	H8	C7	H10	107.777
H8	C7	C15	110.629	H9	C7	H10	107.988
H9	C7	C15	111.320	H10	C7	C15	111.027
C11	C15	H16	108.254	H12	C11	H13	107.613
H12	C11	H14	107.735	H12	C11	C15	110.901
H13	C11	H14	108.577	H13	C11	C15	111.367
H14	C11	C15	110.516

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-)