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	hartrees
Energy at 0K	-38.747354
Energy at 298.15K	-38.760097
HF Energy	-38.040877
Nuclear repulsion energy	112.510793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3427	0.11
2	A	3498	3333	1.09
3	A	3159	3010	31.56
4	A	3150	3001	47.37
5	A	3143	2995	70.20
6	A	3137	2989	13.56
7	A	3111	2964	36.40
8	A	3081	2936	12.71
9	A	3050	2906	27.01
10	A	3046	2902	31.53
11	A	2992	2851	67.94
12	A	1722	1641	43.95
13	A	1556	1482	18.13
14	A	1541	1468	2.85
15	A	1539	1466	3.24
16	A	1530	1458	2.25
17	A	1521	1449	1.66
18	A	1457	1388	12.56
19	A	1443	1375	0.54
20	A	1435	1368	11.19
21	A	1391	1326	0.45
22	A	1362	1298	0.05
23	A	1327	1264	5.27
24	A	1250	1191	0.24
25	A	1218	1160	1.58
26	A	1192	1136	7.90
27	A	1108	1056	3.68
28	A	1089	1038	13.69
29	A	984	937	0.48
30	A	964	918	26.19
31	A	956	911	70.81
32	A	934	889	1.04
33	A	878	837	44.90
34	A	815	776	1.67
35	A	484	461	7.28
36	A	419	399	0.38
37	A	366	349	1.34
38	A	296	282	17.78
39	A	262	250	8.75
40	A	236	225	16.20
41	A	212	202	20.79
42	A	129	123	2.86

Atom	x (Å)	y (Å)	z (Å)
N1	-2.009	-0.032	-0.204
H2	-2.800	-0.644	0.001
H3	-2.144	0.800	0.371
C4	-0.757	-0.711	0.213
H5	-0.642	-0.783	1.310
H6	-0.793	-1.736	-0.179
C7	1.754	-0.764	0.036
H8	1.888	-0.747	1.126
H9	1.711	-1.812	-0.285
H10	2.642	-0.308	-0.417
C11	0.548	1.460	0.094
H12	1.467	1.939	-0.263
H13	-0.298	2.040	-0.290
H14	0.544	1.519	1.192
C15	0.478	-0.005	-0.365
H16	0.377	-0.024	-1.459

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0211	1.0207	1.4836	2.1735	2.0929	3.8408	4.1786	4.1245	4.6633	2.9751	3.9959	2.6880	3.2969	2.4925	2.6958
H2	1.0211		1.6289	2.0554	2.5286	2.2920	4.5562	4.8222	4.6690	5.4682	3.9555	4.9948	3.6805	4.1571	3.3604	3.5510
H3	1.0207	1.6289		2.0575	2.3760	2.9256	4.2138	4.3841	4.7030	4.9752	2.7854	3.8391	2.3196	2.9011	2.8406	3.2227
C4	1.4836	2.0554	2.0575		1.1058	1.0974	2.5179	2.7981	2.7481	3.4800	2.5362	3.4921	2.8339	2.7612	1.5361	2.1340
H5	2.1735	2.5286	2.3760	1.1058		1.7742	2.7136	2.5364	3.0232	3.7404	2.8154	3.7856	3.2628	2.5920	2.1606	3.0470
H6	2.0929	2.2920	2.9256	1.0974	1.7742		2.7347	3.1409	2.5077	3.7273	3.4767	4.3146	3.8093	3.7760	2.1557	2.4368
C7	3.8408	4.5562	4.2138	2.5179	2.7136	2.7347		1.0978	1.0968	1.0961	2.5313	2.7346	3.4901	2.8303	1.5379	2.1638
H8	4.1786	4.8222	4.3841	2.7981	2.5364	3.1409	1.0978		1.7760	1.7728	2.7811	3.0533	3.8147	2.6354	2.1820	3.0805
H9	4.1245	4.6690	4.7030	2.7481	3.0232	2.5077	1.0968	1.7760		1.7736	3.4937	3.7588	4.3445	3.8258	2.1890	2.5214
H10	4.6633	5.4682	4.9752	3.4800	3.7404	3.7273	1.0961	1.7728	1.7736		2.7880	2.5398	3.7644	3.2133	2.1849	2.5091
C11	2.9751	3.9555	2.7854	2.5362	2.8154	3.4767	2.5313	2.7811	3.4937	2.7880		1.0962	1.0950	1.0992	1.5374	2.1556
H12	3.9959	4.9948	3.8391	3.4921	3.7856	4.3146	2.7346	3.0533	3.7588	2.5398	1.0962		1.7684	1.7735	2.1830	2.5439
H13	2.6880	3.6805	2.3196	2.8339	3.2628	3.8093	3.4901	3.8147	4.3445	3.7644	1.0950	1.7684		1.7823	2.1887	2.4664
H14	3.2969	4.1571	2.9011	2.7612	2.5920	3.7760	2.8303	2.6354	3.8258	3.2133	1.0992	1.7735	1.7823		2.1798	3.0720
C15	2.4925	3.3604	2.8406	1.5361	2.1606	2.1557	1.5379	2.1820	2.1890	2.1849	1.5374	2.1830	2.1887	2.1798		1.0988
H16	2.6958	3.5510	3.2227	2.1340	3.0470	2.4368	2.1638	3.0805	2.5214	2.5091	2.1556	2.5439	2.4664	3.0720	1.0988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.347	N1	C4	H6	107.420
N1	C4	C15	111.249	H2	N1	H3	105.833
H2	N1	C4	108.888	H3	N1	C4	109.091
C4	C15	C7	109.992	C4	C15	C11	111.214
C4	C15	H16	107.004	H5	C4	H6	107.277
H5	C4	C15	108.641	H6	C4	C15	108.738
C7	C15	C11	110.794	C7	C15	H16	109.164
H8	C7	H9	108.045	H8	C7	H10	107.812
H8	C7	C15	110.654	H9	C7	H10	107.952
H9	C7	C15	111.264	H10	C7	C15	110.978
C11	C15	H16	108.566	H12	C11	H13	107.615
H12	C11	H14	107.774	H12	C11	C15	110.865
H13	C11	H14	108.643	H13	C11	C15	111.386
H14	C11	C15	110.431

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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