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	hartrees
Energy at 0K	-213.334196
Energy at 298.15K	-213.346908
HF Energy	-212.405537
Nuclear repulsion energy	194.705170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3455	2.94
2	A	3539	3368	0.07
3	A	3161	3008	24.80
4	A	3158	3005	25.00
5	A	3149	2996	46.98
6	A	3144	2991	9.92
7	A	3111	2961	28.02
8	A	3086	2936	11.68
9	A	3063	2915	20.60
10	A	3060	2911	21.82
11	A	2998	2853	55.71
12	A	1657	1576	29.35
13	A	1529	1455	16.91
14	A	1517	1444	3.97
15	A	1513	1440	1.45
16	A	1505	1432	1.81
17	A	1499	1426	1.33
18	A	1432	1362	10.04
19	A	1413	1345	2.19
20	A	1403	1335	8.98
21	A	1376	1309	0.55
22	A	1349	1283	0.22
23	A	1315	1251	4.40
24	A	1237	1177	0.07
25	A	1208	1149	0.89
26	A	1180	1123	4.00
27	A	1102	1048	6.57
28	A	1099	1046	10.44
29	A	978	931	0.47
30	A	958	911	1.90
31	A	933	887	20.27
32	A	928	883	14.00
33	A	853	811	88.42
34	A	817	777	3.80
35	A	485	462	6.93
36	A	414	394	0.31
37	A	358	341	0.70
38	A	284	270	13.24
39	A	267	254	5.11
40	A	235	224	16.00
41	A	216	206	14.27
42	A	126	120	3.88

Atom	x (Å)	y (Å)	z (Å)
N1	-1.994	-0.030	-0.188
H2	-2.790	-0.598	0.077
H3	-2.104	0.840	0.316
C4	-0.756	-0.693	0.230
H5	-0.635	-0.748	1.321
H6	-0.790	-1.719	-0.138
C7	1.728	-0.768	0.030
H8	1.859	-0.773	1.113
H9	1.681	-1.804	-0.307
H10	2.613	-0.310	-0.410
C11	0.559	1.445	0.110
H12	1.457	1.922	-0.282
H13	-0.296	2.028	-0.228
H14	0.605	1.495	1.200
C15	0.469	-0.003	-0.354
H16	0.359	-0.014	-1.441

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0122	1.0119	1.4646	2.1534	2.0744	3.8009	4.1342	4.0823	4.6213	2.9643	3.9664	2.6689	3.3180	2.4690	2.6656
H2	1.0122		1.6113	2.0412	2.4923	2.3025	4.5211	4.7661	4.6462	5.4324	3.9232	4.9511	3.6341	4.1433	3.3405	3.5432
H3	1.0119	1.6113		2.0427	2.3852	2.9123	4.1655	4.3522	4.6586	4.9093	2.7387	3.7693	2.2304	2.9237	2.7890	3.1428
C4	1.4646	2.0412	2.0427		1.0989	1.0908	2.4936	2.7618	2.7319	3.4511	2.5132	3.4639	2.7971	2.7533	1.5227	2.1201
H5	2.1534	2.4923	2.3852	1.0989		1.7592	2.6930	2.5032	3.0213	3.7068	2.7761	3.7524	3.1974	2.5665	2.1401	3.0253
H6	2.0744	2.3025	2.9123	1.0908	1.7592		2.6967	3.0788	2.4781	3.6931	3.4487	4.2809	3.7804	3.7505	2.1393	2.4336
C7	3.8009	4.5211	4.1655	2.4936	2.6930	2.6967		1.0912	1.0899	1.0893	2.5044	2.7221	3.4616	2.7843	1.5226	2.1465
H8	4.1342	4.7661	4.3522	2.7618	2.5032	3.0788	1.0912		1.7640	1.7612	2.7598	3.0614	3.7800	2.5929	2.1627	3.0578
H9	4.0823	4.6462	4.6586	2.7319	3.0213	2.4781	1.0899	1.7640		1.7634	3.4623	3.7328	4.3125	3.7829	2.1713	2.4977
H10	4.6213	5.4324	4.9093	3.4511	3.7068	3.6931	1.0893	1.7612	1.7634		2.7516	2.5176	3.7371	3.1438	2.1669	2.4970
C11	2.9643	3.9232	2.7387	2.5132	2.7761	3.4487	2.5044	2.7598	3.4623	2.7516		1.0894	1.0888	1.0923	1.5230	2.1381
H12	3.9664	4.9511	3.7693	3.4639	3.7524	4.2809	2.7221	3.0614	3.7328	2.5176	1.0894		1.7571	1.7621	2.1648	2.5090
H13	2.6689	3.6341	2.2304	2.7971	3.1974	3.7804	3.4616	3.7800	4.3125	3.7371	1.0888	1.7571		1.7707	2.1738	2.4631
H14	3.3180	4.1433	2.9237	2.7533	2.5665	3.7505	2.7843	2.5929	3.7829	3.1438	1.0923	1.7621	1.7707		2.1623	3.0510
C15	2.4690	3.3405	2.7890	1.5227	2.1401	2.1393	1.5226	2.1627	2.1713	2.1669	1.5230	2.1648	2.1738	2.1623		1.0924
H16	2.6656	3.5432	3.1428	2.1201	3.0253	2.4336	2.1465	3.0578	2.4977	2.4970	2.1381	2.5090	2.4631	3.0510	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.521	N1	C4	H6	107.638
N1	C4	C15	111.470	H2	N1	H3	105.507
H2	N1	C4	109.650	H3	N1	C4	109.788
C4	C15	C7	109.938	C4	C15	C11	111.214
C4	C15	H16	107.183	H5	C4	H6	106.908
H5	C4	C15	108.357	H6	C4	C15	108.757
C7	C15	C11	110.630	C7	C15	H16	109.231
H8	C7	H9	107.946	H8	C7	H10	107.744
H8	C7	C15	110.584	H9	C7	H10	108.037
H9	C7	C15	111.350	H10	C7	C15	111.037
C11	C15	H16	108.553	H12	C11	H13	107.541
H12	C11	H14	107.735	H12	C11	C15	110.830
H13	C11	H14	108.547	H13	C11	C15	111.591
H14	C11	C15	110.459

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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