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	hartrees
Energy at 0K	-95.814281
Energy at 298.15K
HF Energy	-95.814281
Nuclear repulsion energy	42.069775

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'	3541	3541	0.81	128.48	0.07	0.14
2	A'	3101	3101	33.52	103.89	0.32	0.48
3	A'	3007	3007	88.83	175.78	0.09	0.17
4	A'	1650	1650	21.13	2.65	0.71	0.83
5	A'	1474	1474	6.76	5.69	0.67	0.80
6	A'	1430	1430	1.79	0.92	0.49	0.65
7	A'	1162	1162	5.98	0.67	0.07	0.14
8	A'	1093	1093	14.12	7.80	0.15	0.26
9	A'	828	828	137.99	1.88	0.22	0.35
10	A"	3626	3626	2.02	50.88	0.75	0.86
11	A"	3141	3141	28.57	59.35	0.75	0.86
12	A"	1494	1494	4.51	6.03	0.75	0.86
13	A"	1336	1336	0.17	0.26	0.75	0.86
14	A"	968	968	0.07	0.08	0.75	0.86
15	A"	303	303	32.20	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.701	0.000
N2	0.050	-0.754	0.000
H3	-0.947	1.171	0.000
H4	0.592	1.062	0.880
H5	0.592	1.062	-0.880
H6	-0.443	-1.111	-0.811
H7	-0.443	-1.111	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4556	1.1018	1.0949	1.0949	2.0453	2.0453
N2	1.4556		2.1681	2.0899	2.0899	1.0134	1.0134
H3	1.1018	2.1681		1.7759	1.7759	2.4734	2.4734
H4	1.0949	2.0899	1.7759		1.7607	2.9412	2.4076
H5	1.0949	2.0899	1.7759	1.7607		2.4076	2.9412
H6	2.0453	1.0134	2.4734	2.9412	2.4076		1.6210
H7	2.0453	1.0134	2.4734	2.4076	2.9412	1.6210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.594	C1	N2	H7	110.594
N2	C1	H3	115.243	N2	C1	H4	109.236
N2	C1	H5	109.236	H3	C1	H4	107.890
H3	C1	H5	107.890	H4	C1	H5	107.034
H6	N2	H7	106.225

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

using model chemistry: B1B95/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	1.383
2	N	-0.156
3	H	-0.374
4	H	-0.361
5	H	-0.361
6	H	-0.065
7	H	-0.065

	x	y	z	Total
	-1.252	0.347	0.000	1.299
CHELPG
AIM
ESP

	x	y	z
x	3.729	-0.023	0.000
y	-0.023	4.267	0.000
z	0.000	0.000	3.616

<r²>	26.723
(<r²>)^1/2	5.169

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

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

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