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	hartrees
Energy at 0K	-211.679568
Energy at 298.15K	-211.692277
HF Energy	-211.140561
Nuclear repulsion energy	191.475708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3465	3359	3.00
2	A	3377	3273	5.33
3	A	3097	3001	27.30
4	A	3084	2989	65.37
5	A	3079	2984	34.61
6	A	3071	2977	10.61
7	A	3052	2958	12.76
8	A	3043	2949	10.35
9	A	3013	2921	18.68
10	A	3010	2917	21.49
11	A	2933	2843	55.65
12	A	1747	1693	18.76
13	A	1593	1544	12.67
14	A	1580	1532	3.69
15	A	1575	1526	0.75
16	A	1573	1524	2.10
17	A	1566	1518	1.17
18	A	1478	1432	9.47
19	A	1457	1412	6.64
20	A	1441	1397	2.72
21	A	1421	1378	2.52
22	A	1383	1340	0.84
23	A	1353	1311	5.27
24	A	1272	1233	0.53
25	A	1223	1185	4.05
26	A	1191	1154	4.23
27	A	1099	1065	2.69
28	A	1064	1031	13.21
29	A	995	965	1.68
30	A	966	936	1.33
31	A	937	908	7.27
32	A	917	889	3.38
33	A	811	786	125.39
34	A	781	757	29.33
35	A	483	468	8.30
36	A	418	405	0.76
37	A	368	357	1.14
38	A	296	286	9.58
39	A	266	258	2.78
40	A	240	232	0.98
41	A	211	204	50.12
42	A	114	111	11.33

Atom	x (Å)	y (Å)	z (Å)
N1	-2.024	-0.026	-0.181
H2	-2.832	-0.651	-0.079
H3	-2.191	0.813	0.387
C4	-0.760	-0.714	0.249
H5	-0.628	-0.773	1.349
H6	-0.798	-1.744	-0.137
C7	1.772	-0.770	0.027
H8	1.899	-0.767	1.121
H9	1.727	-1.814	-0.317
H10	2.654	-0.292	-0.425
C11	0.554	1.474	0.108
H12	1.442	1.967	-0.316
H13	-0.337	2.025	-0.222
H14	0.624	1.520	1.207
C15	0.477	-0.004	-0.360
H16	0.348	-0.021	-1.452

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0266	1.0263	1.5024	2.2014	2.1117	3.8741	4.1997	4.1582	4.6921	2.9971	4.0006	2.6554	3.3655	2.5078	2.6915
H2	1.0266		1.6645	2.0986	2.6282	2.3095	4.6066	4.8821	4.7110	5.5084	4.0024	5.0178	3.6610	4.2787	3.3831	3.5206
H3	1.0263	1.6645		2.0973	2.4250	2.9586	4.2825	4.4456	4.7697	5.0354	2.8380	3.8766	2.2970	3.0160	2.8887	3.2444
C4	1.5024	2.0986	2.0973		1.1092	1.1007	2.5423	2.7990	2.7777	3.5052	2.5567	3.5152	2.8110	2.7969	1.5505	2.1450
H5	2.2014	2.6282	2.4250	1.1092		1.7829	2.7402	2.5377	3.0670	3.7617	2.8265	3.8165	3.2215	2.6162	2.1750	3.0599
H6	2.1117	2.3095	2.9586	1.1007	1.7829		2.7538	3.1327	2.5327	3.7564	3.5000	4.3390	3.7982	3.8055	2.1688	2.4524
C7	3.8741	4.6066	4.2825	2.5423	2.7402	2.7538		1.1015	1.1009	1.1001	2.5543	2.7777	3.5100	2.8198	1.5530	2.1854
H8	4.1997	4.8821	4.4456	2.7990	2.5377	3.1327	1.1015		1.7874	1.7849	2.8032	3.1223	3.8209	2.6195	2.1901	3.0958
H9	4.1582	4.7110	4.7697	2.7777	3.0670	2.5327	1.1009	1.7874		1.7856	3.5173	3.7922	4.3601	3.8282	2.2000	2.5310
H10	4.6921	5.5084	5.0354	3.5052	3.7617	3.7564	1.1001	1.7849	1.7856		2.7950	2.5659	3.7891	3.1727	2.1968	2.5388
C11	2.9971	4.0024	2.8380	2.5567	2.8265	3.5000	2.5543	2.8032	3.5173	2.7950		1.1002	1.0986	1.1023	1.5529	2.1709
H12	4.0006	5.0178	3.8766	3.5152	3.8165	4.3390	2.7777	3.1223	3.7922	2.5659	1.1002		1.7830	1.7858	2.1955	2.5379
H13	2.6554	3.6610	2.2970	2.8110	3.2215	3.7982	3.5100	3.8209	4.3601	3.7891	1.0986	1.7830		1.7946	2.1910	2.4839
H14	3.3655	4.2787	3.0160	2.7969	2.6162	3.8055	2.8198	2.6195	3.8282	3.1727	1.1023	1.7858	1.7946		2.1907	3.0856
C15	2.5078	3.3831	2.8887	1.5505	2.1750	2.1688	1.5530	2.1901	2.2000	2.1968	1.5529	2.1955	2.1910	2.1907		1.1002
H16	2.6915	3.5206	3.2444	2.1450	3.0599	2.4524	2.1854	3.0958	2.5310	2.5388	2.1709	2.5379	2.4839	3.0856	1.1002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	114.057	N1	C4	H6	107.427
N1	C4	C15	110.451	H2	N1	H3	108.348
H2	N1	C4	110.752	H3	N1	C4	110.664
C4	C15	C7	110.001	C4	C15	C11	110.945
C4	C15	H16	106.815	H5	C4	H6	107.562
H5	C4	C15	108.591	H6	C4	C15	108.588
C7	C15	C11	110.648	C7	C15	H16	109.728
H8	C7	H9	108.505	H8	C7	H10	108.334
H8	C7	C15	110.019	H9	C7	H10	108.446
H9	C7	C15	110.837	H10	C7	C15	110.629
C11	C15	H16	108.615	H12	C11	H13	108.367
H12	C11	H14	108.355	H12	C11	C15	110.531
H13	C11	H14	109.248	H13	C11	C15	110.265
H14	C11	C15	110.027

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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