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	hartrees
Energy at 0K	-95.761343
Energy at 298.15K
HF Energy	-95.761343
Nuclear repulsion energy	41.995205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3532	3532	0.95	130.26	0.07	0.14
2	A'	3090	3090	33.27	105.55	0.32	0.48
3	A'	2994	2994	90.15	179.78	0.09	0.17
4	A'	1649	1649	21.24	2.64	0.70	0.82
5	A'	1470	1470	6.85	5.73	0.66	0.80
6	A'	1428	1428	1.63	0.94	0.47	0.64
7	A'	1161	1161	5.79	0.69	0.07	0.13
8	A'	1092	1092	13.75	7.54	0.14	0.25
9	A'	830	830	138.96	2.00	0.21	0.34
10	A"	3617	3617	1.96	51.17	0.75	0.86
11	A"	3130	3130	28.37	59.65	0.75	0.86
12	A"	1491	1491	4.73	6.02	0.75	0.86
13	A"	1337	1337	0.20	0.22	0.75	0.86
14	A"	969	969	0.10	0.09	0.75	0.86
15	A"	304	304	32.25	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.702	0.000
N2	0.050	-0.755	0.000
H3	-0.949	1.174	0.000
H4	0.593	1.064	0.882
H5	0.593	1.064	-0.882
H6	-0.444	-1.112	-0.812
H7	-0.444	-1.112	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4572	1.1049	1.0978	1.0978	2.0482	2.0482
N2	1.4572		2.1725	2.0939	2.0939	1.0153	1.0153
H3	1.1049	2.1725		1.7803	1.7803	2.4782	2.4782
H4	1.0978	2.0939	1.7803		1.7649	2.9470	2.4120
H5	1.0978	2.0939	1.7803	1.7649		2.4120	2.9470
H6	2.0482	1.0153	2.4782	2.9470	2.4120		1.6243
H7	2.0482	1.0153	2.4782	2.4120	2.9470	1.6243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.587	C1	N2	H7	110.587
N2	C1	H3	115.286	N2	C1	H4	109.268
N2	C1	H5	109.268	H3	C1	H4	107.850
H3	C1	H5	107.850	H4	C1	H5	107.001
H6	N2	H7	106.240

All results from a given calculation for CH₃NH₂ (methyl amine)

using model chemistry: HSEh1PBE/daug-cc-pVDZ

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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Number	Element	Mulliken
1	C	1.187
2	N	-0.280
3	H	-0.293
4	H	-0.289
5	H	-0.289
6	H	-0.017
7	H	-0.017

	x	y	z	Total
	-1.254	0.342	0.000	1.300
CHELPG
AIM
ESP

	x	y	z
x	3.764	-0.029	0.000
y	-0.029	4.295	0.000
z	0.000	0.000	3.638

<r²>	26.807
(<r²>)^1/2	5.178

All results from a given calculation for CH3NH2 (methyl amine)

using model chemistry: HSEh1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NH₂ (methyl amine)