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	hartrees
Energy at 0K	-213.066082
Energy at 298.15K	-213.078913
HF Energy	-212.315053
Nuclear repulsion energy	193.461261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3587	3395	0.16
2	A	3501	3314	1.02
3	A	3158	2989	29.24
4	A	3149	2981	36.94
5	A	3142	2974	58.75
6	A	3137	2969	8.50
7	A	3103	2937	32.31
8	A	3078	2913	16.00
9	A	3066	2902	16.59
10	A	3062	2899	23.58
11	A	2990	2830	58.70
12	A	1734	1641	34.31
13	A	1571	1487	12.84
14	A	1561	1477	1.31
15	A	1557	1474	4.49
16	A	1548	1465	2.47
17	A	1542	1459	0.93
18	A	1483	1403	9.02
19	A	1469	1391	1.74
20	A	1460	1382	8.75
21	A	1422	1346	0.32
22	A	1391	1317	0.03
23	A	1355	1282	5.92
24	A	1273	1205	0.22
25	A	1238	1172	2.85
26	A	1215	1150	6.36
27	A	1127	1067	3.25
28	A	1120	1060	9.95
29	A	1000	947	0.35
30	A	980	928	53.01
31	A	971	919	32.31
32	A	955	904	1.20
33	A	894	846	59.84
34	A	826	782	1.65
35	A	496	469	6.95
36	A	429	406	0.62
37	A	374	354	1.21
38	A	298	282	22.40
39	A	273	259	9.67
40	A	245	231	19.94
41	A	228	216	10.94
42	A	125	119	4.87

Atom	x (Å)	y (Å)	z (Å)
N1	-2.005	-0.024	-0.192
H2	-2.804	-0.610	0.052
H3	-2.128	0.838	0.339
C4	-0.767	-0.691	0.234
H5	-0.655	-0.757	1.333
H6	-0.803	-1.723	-0.141
C7	1.735	-0.781	0.028
H8	1.880	-0.791	1.117
H9	1.679	-1.822	-0.315
H10	2.625	-0.325	-0.423
C11	0.573	1.456	0.108
H12	1.480	1.926	-0.291
H13	-0.284	2.044	-0.238
H14	0.619	1.519	1.205
C15	0.471	-0.003	-0.346
H16	0.357	-0.014	-1.439

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0198	1.0194	1.4698	2.1648	2.0823	3.8227	4.1707	4.1016	4.6461	2.9878	3.9948	2.6912	3.3499	2.4810	2.6712
H2	1.0198		1.6232	2.0468	2.5063	2.2983	4.5426	4.8068	4.6586	5.4573	3.9588	4.9897	3.6711	4.1930	3.3541	3.5451
H3	1.0194	1.6232		2.0499	2.3881	2.9232	4.2001	4.3955	4.6899	4.9522	2.7801	3.8204	2.2775	2.9602	2.8158	3.1716
C4	1.4698	2.0468	2.0499		1.1070	1.0982	2.5123	2.7919	2.7500	3.4746	2.5340	3.4892	2.8178	2.7840	1.5305	2.1265
H5	2.1648	2.5063	2.3881	1.1070		1.7686	2.7240	2.5446	3.0496	3.7462	2.8117	3.7943	3.2334	2.6119	2.1580	3.0439
H6	2.0823	2.2983	2.9232	1.0982	1.7686		2.7125	3.1058	2.4899	3.7129	3.4726	4.3067	3.8041	3.7874	2.1501	2.4398
C7	3.8227	4.5426	4.2001	2.5123	2.7240	2.7125		1.0985	1.0974	1.0968	2.5216	2.7373	3.4826	2.8141	1.5309	2.1544
H8	4.1707	4.8068	4.3955	2.7919	2.5446	3.1058	1.0985		1.7756	1.7729	2.7876	3.0859	3.8151	2.6327	2.1784	3.0753
H9	4.1016	4.6586	4.6899	2.7500	3.0496	2.4899	1.0974	1.7756		1.7742	3.4848	3.7530	4.3366	3.8201	2.1839	2.5065
H10	4.6461	5.4573	4.9522	3.4746	3.7462	3.7129	1.0968	1.7729	1.7742		2.7684	2.5288	3.7564	3.1737	2.1797	2.5053
C11	2.9878	3.9588	2.7801	2.5340	2.8117	3.4726	2.5216	2.7876	3.4848	2.7684		1.0969	1.0959	1.0995	1.5310	2.1451
H12	3.9948	4.9897	3.8204	3.4892	3.7943	4.3067	2.7373	3.0859	3.7530	2.5288	1.0969		1.7686	1.7734	2.1774	2.5182
H13	2.6912	3.6711	2.2775	2.8178	3.2334	3.8041	3.4826	3.8151	4.3366	3.7564	1.0959	1.7686		1.7818	2.1845	2.4676
H14	3.3499	4.1930	2.9602	2.7840	2.6119	3.7874	2.8141	2.6327	3.8201	3.1737	1.0995	1.7734	1.7818		2.1779	3.0677
C15	2.4810	3.3541	2.8158	1.5305	2.1580	2.1501	1.5309	2.1784	2.1839	2.1797	1.5310	2.1774	2.1845	2.1779		1.0995
H16	2.6712	3.5451	3.1716	2.1265	3.0439	2.4398	2.1544	3.0753	2.5065	2.5053	2.1451	2.5182	2.4676	3.0677	1.0995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.559	N1	C4	H6	107.476
N1	C4	C15	111.549	H2	N1	H3	105.500
H2	N1	C4	109.260	H3	N1	C4	109.544
C4	C15	C7	110.300	C4	C15	C11	111.724
C4	C15	H16	106.765	H5	C4	H6	106.644
H5	C4	C15	108.750	H6	C4	C15	108.641
C7	C15	C11	110.884	C7	C15	H16	108.873
H8	C7	H9	107.911	H8	C7	H10	107.721
H8	C7	C15	110.809	H9	C7	H10	107.911
H9	C7	C15	111.318	H10	C7	C15	111.021
C11	C15	H16	108.145	H12	C11	H13	107.523
H12	C11	H14	107.686	H12	C11	C15	110.822
H13	C11	H14	108.506	H13	C11	C15	111.450
H14	C11	C15	110.710

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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