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	hartrees
Energy at 0K	-213.139483
Energy at 298.15K	-213.152296
HF Energy	-212.342130
Nuclear repulsion energy	194.331895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3688	3464	3.44
2	A	3583	3365	0.13
3	A	3212	3017	28.07
4	A	3206	3011	31.95
5	A	3198	3003	55.71
6	A	3193	2999	11.64
7	A	3158	2966	31.21
8	A	3124	2934	16.50
9	A	3105	2916	24.22
10	A	3102	2913	30.24
11	A	3038	2853	63.82
12	A	1699	1596	43.82
13	A	1562	1467	16.35
14	A	1550	1456	1.77
15	A	1548	1454	5.34
16	A	1538	1445	2.40
17	A	1532	1439	1.64
18	A	1466	1377	15.14
19	A	1451	1363	0.53
20	A	1442	1354	9.09
21	A	1405	1320	0.74
22	A	1372	1289	0.19
23	A	1341	1259	7.81
24	A	1259	1182	0.19
25	A	1229	1155	0.65
26	A	1202	1129	6.01
27	A	1115	1047	1.75
28	A	1112	1044	17.16
29	A	998	937	0.47
30	A	974	914	0.49
31	A	953	895	7.14
32	A	945	887	30.86
33	A	864	812	104.72
34	A	824	774	7.09
35	A	495	465	7.32
36	A	426	400	0.37
37	A	370	347	0.92
38	A	290	273	19.49
39	A	273	257	7.02
40	A	242	228	18.52
41	A	223	209	10.99
42	A	129	121	3.79

Atom	x (Å)	y (Å)	z (Å)
N1	-1.998	-0.029	-0.185
H2	-2.801	-0.607	0.034
H3	-2.127	0.850	0.304
C4	-0.760	-0.689	0.237
H5	-0.643	-0.742	1.329
H6	-0.800	-1.716	-0.131
C7	1.730	-0.775	0.026
H8	1.872	-0.778	1.108
H9	1.675	-1.811	-0.310
H10	2.613	-0.322	-0.424
C11	0.568	1.448	0.109
H12	1.471	1.916	-0.284
H13	-0.281	2.037	-0.235
H14	0.612	1.503	1.199
C15	0.469	-0.003	-0.349
H16	0.354	-0.015	-1.436

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0132	1.0130	1.4652	2.1532	2.0706	3.8083	4.1491	4.0847	4.6266	2.9758	3.9785	2.6864	3.3277	2.4732	2.6640
H2	1.0132		1.6273	2.0523	2.5199	2.2940	4.5341	4.7979	4.6476	5.4405	3.9473	4.9715	3.6620	4.1778	3.3474	3.5302
H3	1.0130	1.6273		2.0590	2.4049	2.9209	4.1942	4.3918	4.6803	4.9359	2.7677	3.7982	2.2595	2.9543	2.8092	3.1506
C4	1.4652	2.0523	2.0590		1.0996	1.0911	2.5006	2.7745	2.7361	3.4566	2.5200	3.4694	2.8075	2.7593	1.5247	2.1192
H5	2.1532	2.5199	2.4049	1.0996		1.7615	2.7071	2.5250	3.0330	3.7211	2.7842	3.7594	3.2085	2.5747	2.1437	3.0269
H6	2.0706	2.2940	2.9209	1.0911	1.7615		2.7034	3.0907	2.4827	3.6978	3.4555	4.2861	3.7897	3.7577	2.1426	2.4341
C7	3.8083	4.5341	4.1942	2.5006	2.7071	2.7034		1.0915	1.0902	1.0896	2.5099	2.7215	3.4669	2.7955	1.5252	2.1469
H8	4.1491	4.7979	4.3918	2.7745	2.5250	3.0907	1.0915		1.7653	1.7619	2.7671	3.0592	3.7900	2.6076	2.1661	3.0595
H9	4.0847	4.6476	4.6803	2.7361	3.0330	2.4827	1.0902	1.7653		1.7637	3.4671	3.7327	4.3168	3.7929	2.1732	2.4974
H10	4.6266	5.4405	4.9359	3.4566	3.7211	3.6978	1.0896	1.7619	1.7637		2.7560	2.5162	3.7379	3.1567	2.1684	2.4944
C11	2.9758	3.9473	2.7677	2.5200	2.7842	3.4555	2.5099	2.7671	3.4671	2.7560		1.0898	1.0890	1.0926	1.5250	2.1387
H12	3.9785	4.9715	3.7982	3.4694	3.7594	4.2861	2.7215	3.0592	3.7327	2.5162	1.0898		1.7570	1.7628	2.1660	2.5114
H13	2.6864	3.6620	2.2595	2.8075	3.2085	3.7897	3.4669	3.7900	4.3168	3.7379	1.0890	1.7570		1.7715	2.1765	2.4611
H14	3.3277	4.1778	2.9543	2.7593	2.5747	3.7577	2.7955	2.6076	3.7929	3.1567	1.0926	1.7628	1.7715		2.1641	3.0519
C15	2.4732	3.3474	2.8092	1.5247	2.1437	2.1426	1.5252	2.1661	2.1732	2.1684	1.5250	2.1660	2.1765	2.1641		1.0933
H16	2.6640	3.5302	3.1506	2.1192	3.0269	2.4341	2.1469	3.0595	2.4974	2.4944	2.1387	2.5114	2.4611	3.0519	1.0933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.405	N1	C4	H6	107.282
N1	C4	C15	111.603	H2	N1	H3	106.860
H2	N1	C4	110.471	H3	N1	C4	111.050
C4	C15	C7	110.155	C4	C15	C11	111.444
C4	C15	H16	106.933	H5	C4	H6	107.042
H5	C4	C15	108.459	H6	C4	C15	108.864
C7	C15	C11	110.751	C7	C15	H16	109.032
H8	C7	H9	108.023	H8	C7	H10	107.761
H8	C7	C15	110.654	H9	C7	H10	108.013
H9	C7	C15	111.299	H10	C7	C15	110.953
C11	C15	H16	108.406	H12	C11	H13	107.492
H12	C11	H14	107.754	H12	C11	C15	110.764
H13	C11	H14	108.589	H13	C11	C15	111.656
H14	C11	C15	110.446

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

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

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/6-31+G**

States and conformations

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