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	hartrees
Energy at 0K	-212.943523
Energy at 298.15K	-212.956466
HF Energy	-212.316301
Nuclear repulsion energy	194.318436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3713	3437	0.22
2	A	3629	3360	0.37
3	A	3237	2997	34.13
4	A	3229	2989	45.59
5	A	3222	2983	68.17
6	A	3216	2977	9.73
7	A	3188	2951	33.47
8	A	3162	2927	15.06
9	A	3150	2916	21.53
10	A	3144	2911	26.59
11	A	3074	2846	65.06
12	A	1779	1647	37.55
13	A	1614	1495	12.05
14	A	1605	1486	1.61
15	A	1601	1482	4.47
16	A	1591	1473	2.28
17	A	1585	1467	0.87
18	A	1528	1415	10.16
19	A	1515	1403	1.59
20	A	1505	1393	8.32
21	A	1462	1354	0.63
22	A	1430	1324	0.03
23	A	1394	1290	6.88
24	A	1306	1209	0.12
25	A	1270	1176	2.34
26	A	1245	1152	7.17
27	A	1155	1069	10.00
28	A	1152	1066	8.27
29	A	1026	950	0.39
30	A	999	925	7.30
31	A	994	920	70.36
32	A	981	909	1.77
33	A	910	843	77.24
34	A	844	782	2.29
35	A	507	470	7.12
36	A	439	406	0.62
37	A	382	354	1.01
38	A	301	279	22.38
39	A	280	259	8.35
40	A	250	231	20.13
41	A	232	215	12.95
42	A	128	118	4.87

Atom	x (Å)	y (Å)	z (Å)
N1	-1.999	-0.024	-0.188
H2	-2.795	-0.602	0.039
H3	-2.125	0.840	0.321
C4	-0.767	-0.685	0.235
H5	-0.659	-0.746	1.327
H6	-0.803	-1.711	-0.133
C7	1.726	-0.783	0.027
H8	1.872	-0.796	1.108
H9	1.667	-1.817	-0.315
H10	2.612	-0.334	-0.421
C11	0.578	1.450	0.108
H12	1.479	1.914	-0.293
H13	-0.271	2.040	-0.232
H14	0.629	1.515	1.197
C15	0.468	-0.003	-0.345
H16	0.355	-0.013	-1.431

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0104	1.0101	1.4601	2.1479	2.0681	3.8072	4.1541	4.0831	4.6269	2.9835	3.9828	2.6918	3.3456	2.4720	2.6613
H2	1.0104		1.6145	2.0390	2.4987	2.2861	4.5248	4.7917	4.6387	5.4335	3.9495	4.9713	3.6643	4.1893	3.3403	3.5258
H3	1.0101	1.6145		2.0432	2.3829	2.9080	4.1894	4.3899	4.6739	4.9364	2.7799	3.8110	2.2771	2.9684	2.8070	3.1536
C4	1.4601	2.0390	2.0432		1.0992	1.0905	2.5039	2.7820	2.7409	3.4602	2.5269	3.4757	2.8088	2.7778	1.5257	2.1176
H5	2.1479	2.4987	2.3829	1.0992		1.7556	2.7163	2.5403	3.0418	3.7312	2.8002	3.7780	3.2165	2.6059	2.1488	3.0280
H6	2.0681	2.2861	2.9080	1.0905	1.7556		2.6987	3.0875	2.4798	3.6937	3.4581	4.2868	3.7897	3.7720	2.1398	2.4304
C7	3.8072	4.5248	4.1894	2.5039	2.7163	2.6987		1.0913	1.0902	1.0896	2.5123	2.7275	3.4679	2.8027	1.5258	2.1438
H8	4.1541	4.7917	4.3899	2.7820	2.5403	3.0875	1.0913		1.7631	1.7605	2.7784	3.0763	3.7991	2.6257	2.1701	3.0592
H9	4.0831	4.6387	4.6739	2.7409	3.0418	2.4798	1.0902	1.7631		1.7614	3.4697	3.7360	4.3175	3.8036	2.1747	2.4942
H10	4.6269	5.4335	4.9364	3.4602	3.7312	3.6937	1.0896	1.7605	1.7614		2.7565	2.5207	3.7395	3.1572	2.1704	2.4934
C11	2.9835	3.9495	2.7799	2.5269	2.8002	3.4581	2.5123	2.7784	3.4697	2.7565		1.0897	1.0887	1.0922	1.5260	2.1350
H12	3.9828	4.9713	3.8110	3.4757	3.7780	4.2868	2.7275	3.0763	3.7360	2.5207	1.0897		1.7559	1.7610	2.1680	2.5048
H13	2.6918	3.6643	2.2771	2.8088	3.2165	3.7897	3.4679	3.7991	4.3175	3.7395	1.0887	1.7559		1.7690	2.1756	2.4583
H14	3.3456	4.1893	2.9684	2.7778	2.6059	3.7720	2.8027	2.6257	3.8036	3.1572	1.0922	1.7610	1.7690		2.1697	3.0521
C15	2.4720	3.3403	2.8070	1.5257	2.1488	2.1398	1.5258	2.1701	2.1747	2.1704	1.5260	2.1680	2.1756	2.1697		1.0918
H16	2.6613	3.5258	3.1536	2.1176	3.0280	2.4304	2.1438	3.0592	2.4942	2.4934	2.1350	2.5048	2.4583	3.0521	1.0918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.369	N1	C4	H6	107.472
N1	C4	C15	111.751	H2	N1	H3	106.072
H2	N1	C4	109.904	H3	N1	C4	110.279
C4	C15	C7	110.276	C4	C15	C11	111.795
C4	C15	H16	106.825	H5	C4	H6	106.603
H5	C4	C15	108.808	H6	C4	C15	108.606
C7	C15	C11	110.816	C7	C15	H16	108.838
H8	C7	H9	107.836	H8	C7	H10	107.651
H8	C7	C15	110.939	H9	C7	H10	107.813
H9	C7	C15	111.372	H10	C7	C15	111.067
C11	C15	H16	108.144	H12	C11	H13	107.418
H12	C11	H14	107.625	H12	C11	C15	110.860
H13	C11	H14	108.408	H13	C11	C15	111.531
H14	C11	C15	110.842

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

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

States and conformations

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