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	hartrees
Energy at 0K	-212.941093
Energy at 298.15K	-212.954040
HF Energy	-212.316318
Nuclear repulsion energy	194.350702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3435	0.31
2	A	3634	3357	0.33
3	A	3241	2994	33.19
4	A	3233	2986	44.19
5	A	3227	2980	66.60
6	A	3220	2975	9.37
7	A	3192	2949	33.16
8	A	3166	2925	14.67
9	A	3153	2912	20.99
10	A	3148	2908	26.21
11	A	3078	2843	64.18
12	A	1780	1644	38.02
13	A	1615	1492	12.19
14	A	1606	1483	1.75
15	A	1601	1479	4.56
16	A	1592	1470	2.31
17	A	1585	1464	0.88
18	A	1529	1413	10.00
19	A	1516	1400	1.79
20	A	1506	1391	8.53
21	A	1463	1351	0.57
22	A	1431	1322	0.04
23	A	1395	1288	6.80
24	A	1307	1207	0.12
25	A	1271	1174	2.34
26	A	1246	1151	7.12
27	A	1156	1068	12.54
28	A	1153	1065	5.88
29	A	1027	948	0.42
30	A	1000	923	5.26
31	A	994	919	72.23
32	A	982	907	1.77
33	A	910	841	77.81
34	A	845	781	2.29
35	A	508	469	7.09
36	A	439	405	0.63
37	A	383	353	0.99
38	A	301	278	22.25
39	A	280	259	8.52
40	A	250	230	20.15
41	A	232	214	13.01
42	A	128	118	4.89

Atom	x (Å)	y (Å)	z (Å)
N1	-1.998	-0.024	-0.188
H2	-2.795	-0.602	0.039
H3	-2.125	0.840	0.320
C4	-0.767	-0.684	0.235
H5	-0.659	-0.746	1.327
H6	-0.803	-1.710	-0.133
C7	1.725	-0.783	0.027
H8	1.871	-0.797	1.108
H9	1.667	-1.817	-0.315
H10	2.611	-0.334	-0.421
C11	0.579	1.450	0.108
H12	1.479	1.914	-0.293
H13	-0.270	2.040	-0.232
H14	0.629	1.515	1.197
C15	0.468	-0.003	-0.344
H16	0.355	-0.013	-1.430

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0102	1.0099	1.4597	2.1473	2.0677	3.8066	4.1534	4.0821	4.6261	2.9834	3.9825	2.6920	3.3454	2.4717	2.6608
H2	1.0102		1.6143	2.0387	2.4982	2.2859	4.5241	4.7910	4.6377	5.4325	3.9492	4.9708	3.6642	4.1890	3.3399	3.5252
H3	1.0099	1.6143		2.0429	2.3829	2.9076	4.1888	4.3896	4.6730	4.9356	2.7797	3.8106	2.2770	2.9684	2.8065	3.1526
C4	1.4597	2.0387	2.0429		1.0989	1.0903	2.5035	2.7816	2.7403	3.4596	2.5267	3.4752	2.8086	2.7776	1.5255	2.1171
H5	2.1473	2.4982	2.3829	1.0989		1.7553	2.7160	2.5401	3.0413	3.7307	2.8001	3.7776	3.2164	2.6058	2.1484	3.0274
H6	2.0677	2.2859	2.9076	1.0903	1.7553		2.6980	3.0867	2.4789	3.6927	3.4576	4.2859	3.7892	3.7715	2.1392	2.4298
C7	3.8066	4.5241	4.1888	2.5035	2.7160	2.6980		1.0911	1.0900	1.0894	2.5120	2.7270	3.4673	2.8025	1.5256	2.1434
H8	4.1534	4.7910	4.3896	2.7816	2.5401	3.0867	1.0911		1.7628	1.7602	2.7782	3.0758	3.7987	2.6257	2.1697	3.0586
H9	4.0821	4.6377	4.6730	2.7403	3.0413	2.4789	1.0900	1.7628		1.7611	3.4692	3.7352	4.3167	3.8031	2.1742	2.4935
H10	4.6261	5.4325	4.9356	3.4596	3.7307	3.6927	1.0894	1.7602	1.7611		2.7561	2.5201	3.7387	3.1569	2.1700	2.4928
C11	2.9834	3.9492	2.7797	2.5267	2.8001	3.4576	2.5120	2.7782	3.4692	2.7561		1.0895	1.0885	1.0920	1.5258	2.1346
H12	3.9825	4.9708	3.8106	3.4752	3.7776	4.2859	2.7270	3.0758	3.7352	2.5201	1.0895		1.7555	1.7607	2.1676	2.5042
H13	2.6920	3.6642	2.2770	2.8086	3.2164	3.7892	3.4673	3.7987	4.3167	3.7387	1.0885	1.7555		1.7687	2.1752	2.4577
H14	3.3454	4.1890	2.9684	2.7776	2.6058	3.7715	2.8025	2.6257	3.8031	3.1569	1.0920	1.7607	1.7687		2.1693	3.0515
C15	2.4717	3.3399	2.8065	1.5255	2.1484	2.1392	1.5256	2.1697	2.1742	2.1700	1.5258	2.1676	2.1752	2.1693		1.0916
H16	2.6608	3.5252	3.1526	2.1171	3.0274	2.4298	2.1434	3.0586	2.4935	2.4928	2.1346	2.5042	2.4577	3.0515	1.0916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.366	N1	C4	H6	107.476
N1	C4	C15	111.764	H2	N1	H3	106.093
H2	N1	C4	109.923	H3	N1	C4	110.303
C4	C15	C7	110.277	C4	C15	C11	111.806
C4	C15	H16	106.819	H5	C4	H6	106.599
H5	C4	C15	108.809	H6	C4	C15	108.592
C7	C15	C11	110.822	C7	C15	H16	108.831
H8	C7	H9	107.840	H8	C7	H10	107.654
H8	C7	C15	110.938	H9	C7	H10	107.816
H9	C7	C15	111.366	H10	C7	C15	111.063
C11	C15	H16	108.138	H12	C11	H13	107.419
H12	C11	H14	107.629	H12	C11	C15	110.852
H13	C11	H14	108.413	H13	C11	C15	111.528
H14	C11	C15	110.843

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

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

States and conformations

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