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	hartrees
Energy at 0K	-213.192550
Energy at 298.15K	-213.205358
HF Energy	-212.342372
Nuclear repulsion energy	194.056677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3454	1.50
2	A	3618	3370	0.25
3	A	3211	2991	33.81
4	A	3205	2985	36.12
5	A	3196	2977	68.94
6	A	3190	2972	10.96
7	A	3162	2946	32.33
8	A	3130	2916	18.03
9	A	3115	2902	23.94
10	A	3111	2898	31.36
11	A	3048	2840	62.57
12	A	1721	1603	43.55
13	A	1570	1463	11.95
14	A	1562	1455	3.38
15	A	1557	1450	5.46
16	A	1546	1441	2.49
17	A	1541	1436	1.24
18	A	1484	1382	13.24
19	A	1470	1369	1.10
20	A	1459	1359	8.05
21	A	1419	1322	0.74
22	A	1387	1292	0.08
23	A	1353	1261	7.83
24	A	1268	1181	0.17
25	A	1236	1151	0.70
26	A	1210	1127	6.54
27	A	1122	1045	8.23
28	A	1120	1044	9.82
29	A	1002	933	0.39
30	A	976	909	0.76
31	A	958	892	20.08
32	A	953	888	26.14
33	A	874	814	94.22
34	A	826	769	4.02
35	A	496	462	7.04
36	A	427	398	0.39
37	A	370	345	0.76
38	A	285	265	20.32
39	A	274	255	6.93
40	A	238	222	18.58
41	A	219	204	9.98
42	A	125	116	4.10

Atom	x (Å)	y (Å)	z (Å)
N1	-2.001	-0.030	-0.185
H2	-2.803	-0.606	0.032
H3	-2.129	0.852	0.292
C4	-0.763	-0.690	0.238
H5	-0.647	-0.741	1.329
H6	-0.793	-1.717	-0.127
C7	1.732	-0.777	0.025
H8	1.875	-0.788	1.107
H9	1.677	-1.810	-0.318
H10	2.614	-0.320	-0.422
C11	0.570	1.452	0.109
H12	1.464	1.921	-0.298
H13	-0.288	2.035	-0.221
H14	0.629	1.510	1.198
C15	0.469	-0.003	-0.347
H16	0.354	-0.014	-1.433

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0110	1.0114	1.4654	2.1521	2.0758	3.8133	4.1555	4.0887	4.6302	2.9820	3.9785	2.6835	3.3469	2.4758	2.6654
H2	1.0110		1.6277	2.0528	2.5203	2.3025	4.5389	4.8038	4.6528	5.4437	3.9521	4.9706	3.6560	4.1974	3.3492	3.5305
H3	1.0114	1.6277		2.0612	2.4107	2.9264	4.1998	4.4033	4.6851	4.9376	2.7708	3.7952	2.2477	2.9766	2.8092	3.1451
C4	1.4654	2.0528	2.0612		1.0987	1.0905	2.5055	2.7790	2.7417	3.4601	2.5254	3.4729	2.8035	2.7743	1.5269	2.1202
H5	2.1521	2.5203	2.4107	1.0987		1.7590	2.7130	2.5319	3.0423	3.7248	2.7885	3.7670	3.1998	2.5904	2.1449	3.0267
H6	2.0758	2.3025	2.9264	1.0905	1.7590		2.6987	3.0828	2.4792	3.6939	3.4574	4.2846	3.7869	3.7669	2.1400	2.4337
C7	3.8133	4.5389	4.1998	2.5055	2.7130	2.6987		1.0912	1.0899	1.0892	2.5152	2.7305	3.4714	2.7970	1.5279	2.1476
H8	4.1555	4.8038	4.4033	2.7790	2.5319	3.0828	1.0912		1.7647	1.7615	2.7777	3.0793	3.7965	2.6155	2.1700	3.0609
H9	4.0887	4.6528	4.6851	2.7417	3.0423	2.4792	1.0899	1.7647		1.7633	3.4711	3.7370	4.3193	3.7972	2.1743	2.4950
H10	4.6302	5.4437	4.9376	3.4601	3.7248	3.6939	1.0892	1.7615	1.7633		2.7565	2.5212	3.7424	3.1482	2.1693	2.4951
C11	2.9820	3.9521	2.7708	2.5254	2.7885	3.4574	2.5152	2.7777	3.4711	2.7565		1.0892	1.0889	1.0920	1.5278	2.1385
H12	3.9785	4.9706	3.7952	3.4729	3.7670	4.2846	2.7305	3.0793	3.7370	2.5212	1.0892		1.7577	1.7626	2.1663	2.5026
H13	2.6835	3.6560	2.2477	2.8035	3.1998	3.7869	3.4714	3.7965	4.3193	3.7424	1.0889	1.7577		1.7699	2.1774	2.4649
H14	3.3469	4.1974	2.9766	2.7743	2.5904	3.7669	2.7970	2.6155	3.7972	3.1482	1.0920	1.7626	1.7699		2.1684	3.0531
C15	2.4758	3.3492	2.8092	1.5269	2.1449	2.1400	1.5279	2.1700	2.1743	2.1693	1.5278	2.1663	2.1774	2.1684		1.0921
H16	2.6654	3.5305	3.1451	2.1202	3.0267	2.4337	2.1476	3.0609	2.4950	2.4951	2.1385	2.5026	2.4649	3.0531	1.0921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.360	N1	C4	H6	107.709
N1	C4	C15	111.647	H2	N1	H3	107.196
H2	N1	C4	110.641	H3	N1	C4	111.332
C4	C15	C7	110.207	C4	C15	C11	111.529
C4	C15	H16	106.933	H5	C4	H6	106.922
H5	C4	C15	108.451	H6	C4	C15	108.547
C7	C15	C11	110.797	C7	C15	H16	108.970
H8	C7	H9	108.016	H8	C7	H10	107.783
H8	C7	C15	110.796	H9	C7	H10	108.038
H9	C7	C15	111.213	H10	C7	C15	110.860
C11	C15	H16	108.276	H12	C11	H13	107.608
H12	C11	H14	107.816	H12	C11	C15	110.623
H13	C11	H14	108.496	H13	C11	C15	111.537
H14	C11	C15	110.627

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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