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	hartrees
Energy at 0K	-213.058213
Energy at 298.15K	-213.071054
HF Energy	-212.315413
Nuclear repulsion energy	193.632231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3394	0.06
2	A	3532	3315	0.59
3	A	3181	2986	28.73
4	A	3173	2978	34.58
5	A	3166	2971	58.72
6	A	3161	2967	8.83
7	A	3126	2934	32.61
8	A	3102	2911	15.72
9	A	3090	2900	16.35
10	A	3086	2897	22.69
11	A	3011	2826	60.42
12	A	1739	1632	35.74
13	A	1578	1481	13.40
14	A	1568	1472	1.40
15	A	1565	1469	4.73
16	A	1555	1460	2.55
17	A	1549	1454	0.95
18	A	1487	1396	9.57
19	A	1474	1384	1.65
20	A	1465	1375	9.34
21	A	1426	1339	0.34
22	A	1395	1310	0.04
23	A	1359	1275	6.10
24	A	1276	1198	0.21
25	A	1242	1166	2.75
26	A	1218	1143	6.38
27	A	1130	1061	3.75
28	A	1125	1056	10.00
29	A	1004	942	0.38
30	A	982	921	40.54
31	A	973	913	42.70
32	A	958	899	1.43
33	A	895	840	63.98
34	A	829	778	1.78
35	A	497	467	7.02
36	A	430	404	0.61
37	A	375	352	1.16
38	A	298	279	21.45
39	A	274	257	9.61
40	A	245	230	20.16
41	A	229	215	12.14
42	A	125	118	4.99

Atom	x (Å)	y (Å)	z (Å)
N1	-2.004	-0.025	-0.191
H2	-2.802	-0.608	0.053
H3	-2.124	0.838	0.334
C4	-0.766	-0.692	0.234
H5	-0.653	-0.756	1.332
H6	-0.801	-1.722	-0.140
C7	1.735	-0.780	0.028
H8	1.877	-0.790	1.115
H9	1.679	-1.819	-0.315
H10	2.623	-0.324	-0.422
C11	0.572	1.455	0.109
H12	1.476	1.925	-0.291
H13	-0.285	2.041	-0.236
H14	0.619	1.516	1.203
C15	0.471	-0.003	-0.346
H16	0.356	-0.013	-1.438

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0177	1.0174	1.4688	2.1629	2.0807	3.8206	4.1662	4.0984	4.6424	2.9859	3.9908	2.6882	3.3471	2.4797	2.6695
H2	1.0177		1.6219	2.0451	2.5046	2.2977	4.5396	4.8015	4.6555	5.4526	3.9548	4.9837	3.6656	4.1883	3.3516	3.5423
H3	1.0174	1.6219		2.0480	2.3875	2.9204	4.1956	4.3901	4.6843	4.9452	2.7749	3.8126	2.2703	2.9568	2.8112	3.1650
C4	1.4688	2.0451	2.0480		1.1052	1.0963	2.5111	2.7883	2.7477	3.4715	2.5327	3.4860	2.8145	2.7813	1.5301	2.1249
H5	2.1629	2.5046	2.3875	1.1052		1.7661	2.7209	2.5401	3.0461	3.7407	2.8081	3.7891	3.2277	2.6077	2.1554	3.0397
H6	2.0807	2.2977	2.9204	1.0963	1.7661		2.7100	3.1009	2.4876	3.7089	3.4695	4.3019	3.7993	3.7824	2.1479	2.4375
C7	3.8206	4.5396	4.1956	2.5111	2.7209	2.7100		1.0967	1.0955	1.0949	2.5207	2.7359	3.4797	2.8108	1.5303	2.1529
H8	4.1662	4.8015	4.3901	2.7883	2.5401	3.1009	1.0967		1.7729	1.7703	2.7851	3.0837	3.8102	2.6288	2.1757	3.0713
H9	4.0984	4.6555	4.6843	2.7477	3.0461	2.4876	1.0955	1.7729		1.7717	3.4818	3.7495	4.3318	3.8149	2.1814	2.5038
H10	4.6424	5.4526	4.9452	3.4715	3.7407	3.7089	1.0949	1.7703	1.7717		2.7660	2.5274	3.7528	3.1687	2.1773	2.5033
C11	2.9859	3.9548	2.7749	2.5327	2.8081	3.4695	2.5207	2.7851	3.4818	2.7660		1.0950	1.0940	1.0976	1.5305	2.1434
H12	3.9908	4.9837	3.8126	3.4860	3.7891	4.3019	2.7359	3.0837	3.7495	2.5274	1.0950		1.7662	1.7708	2.1751	2.5153
H13	2.6882	3.6656	2.2703	2.8145	3.2277	3.7993	3.4797	3.8102	4.3318	3.7528	1.0940	1.7662		1.7791	2.1821	2.4653
H14	3.3471	4.1883	2.9568	2.7813	2.6077	3.7824	2.8108	2.6288	3.8149	3.1687	1.0976	1.7708	1.7791		2.1753	3.0636
C15	2.4797	3.3516	2.8112	1.5301	2.1554	2.1479	1.5303	2.1757	2.1814	2.1773	1.5305	2.1751	2.1821	2.1753		1.0975
H16	2.6695	3.5423	3.1650	2.1249	3.0397	2.4375	2.1529	3.0713	2.5038	2.5033	2.1434	2.5153	2.4653	3.0636	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.585	N1	C4	H6	107.528
N1	C4	C15	111.540	H2	N1	H3	105.679
H2	N1	C4	109.320	H3	N1	C4	109.577
C4	C15	C7	110.274	C4	C15	C11	111.688
C4	C15	H16	106.778	H5	C4	H6	106.683
H5	C4	C15	108.675	H6	C4	C15	108.608
C7	C15	C11	110.882	C7	C15	H16	108.911
H8	C7	H9	107.946	H8	C7	H10	107.755
H8	C7	C15	110.753	H9	C7	H10	107.972
H9	C7	C15	111.280	H10	C7	C15	110.991
C11	C15	H16	108.162	H12	C11	H13	107.580
H12	C11	H14	107.730	H12	C11	C15	110.792
H13	C11	H14	108.542	H13	C11	C15	111.408
H14	C11	C15	110.653

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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