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	hartrees
Energy at 0K	-18.070047
Energy at 298.15K
HF Energy	-18.070047
Nuclear repulsion energy	26.625651

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'	3722	3362	1.09	102.70	0.13	0.23
2	A'	3229	2917	71.91	97.70	0.32	0.49
3	A'	3144	2840	114.49	137.84	0.13	0.23
4	A'	1841	1664	37.30	6.00	0.75	0.86
5	A'	1631	1474	6.69	15.84	0.73	0.84
6	A'	1588	1434	6.32	4.14	0.73	0.85
7	A'	1280	1157	24.40	3.17	0.48	0.64
8	A'	1130	1021	25.28	14.10	0.30	0.46
9	A'	953	861	170.22	2.75	0.68	0.81
10	A"	3801	3434	0.09	67.83	0.75	0.86
11	A"	3266	2951	65.30	79.64	0.75	0.86
12	A"	1649	1490	2.12	16.51	0.75	0.86
13	A"	1468	1326	0.09	3.29	0.75	0.86
14	A"	1040	940	0.37	0.15	0.75	0.86
15	A"	333	301	46.51	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.706	0.000
N2	0.050	-0.759	0.000
H3	-0.944	1.159	0.000
H4	0.584	1.064	0.876
H5	0.584	1.064	-0.876
H6	-0.439	-1.105	-0.805
H7	-0.439	-1.105	0.805

	C1	N2	H3	H4	H5	H6	H7
C1		1.4654	1.0924	1.0859	1.0859	2.0417	2.0417
N2	1.4654		2.1602	2.0915	2.0915	1.0033	1.0033
H3	1.0924	2.1602		1.7636	1.7636	2.4553	2.4553
H4	1.0859	2.0915	1.7636		1.7513	2.9281	2.3989
H5	1.0859	2.0915	1.7636	1.7513		2.3989	2.9281
H6	2.0417	1.0033	2.4553	2.9281	2.3989		1.6097
H7	2.0417	1.0033	2.4553	2.3989	2.9281	1.6097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.177	C1	N2	H7	110.177
N2	C1	H3	114.460	N2	C1	H4	109.218
N2	C1	H5	109.218	H3	C1	H4	108.117
H3	C1	H5	108.117	H4	C1	H5	107.485
H6	N2	H7	106.687

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.357
2	N	-0.731
3	H	0.134
4	H	0.161
5	H	0.161
6	H	0.316
7	H	0.316

	x	y	z	Total
	-1.509	0.447	0.000	1.574
CHELPG
AIM
ESP

	x	y	z
x	2.678	0.102	0.000
y	0.102	3.076	0.000
z	0.000	0.000	2.963

<r²>	24.427
(<r²>)^1/2	4.942

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

using model chemistry: HF/CEP-121G*

States and conformations

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