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	hartrees
Energy at 0K	-95.800353
Energy at 298.15K
HF Energy	-95.800353
Nuclear repulsion energy	42.037502

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'	3513	3377	0.93	112.93	0.11	0.20
2	A'	3094	2974	40.69	102.70	0.30	0.46
3	A'	2987	2871	95.16	151.67	0.15	0.26
4	A'	1656	1592	15.87	7.81	0.69	0.81
5	A'	1476	1418	8.88	18.44	0.67	0.80
6	A'	1443	1387	3.35	5.77	0.63	0.78
7	A'	1175	1129	6.08	2.55	0.51	0.67
8	A'	1100	1058	13.28	8.07	0.29	0.45
9	A'	873	839	137.89	3.86	0.69	0.82
10	A"	3591	3451	0.02	68.41	0.75	0.86
11	A"	3138	3016	30.10	79.94	0.75	0.86
12	A"	1496	1438	2.46	18.24	0.75	0.86
13	A"	1349	1297	0.42	1.64	0.75	0.86
14	A"	979	941	0.03	0.35	0.75	0.86
15	A"	331	318	36.91	1.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	0.696	0.000
N2	0.053	-0.757	0.000
H3	-0.941	1.184	0.000
H4	0.597	1.062	0.881
H5	0.597	1.062	-0.881
H6	-0.469	-1.094	-0.807
H7	-0.469	-1.094	0.807

	C1	N2	H3	H4	H5	H6	H7
C1		1.4525	1.1075	1.0990	1.0990	2.0316	2.0316
N2	1.4525		2.1806	2.0934	2.0934	1.0184	1.0184
H3	1.1075	2.1806		1.7775	1.7775	2.4628	2.4628
H4	1.0990	2.0934	1.7775		1.7626	2.9390	2.4069
H5	1.0990	2.0934	1.7775	1.7626		2.4069	2.9390
H6	2.0316	1.0184	2.4628	2.9390	2.4069		1.6139
H7	2.0316	1.0184	2.4628	2.4069	2.9390	1.6139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.357	C1	N2	H7	109.357
N2	C1	H3	116.162	N2	C1	H4	109.479
N2	C1	H5	109.479	H3	C1	H4	107.333
H3	C1	H5	107.333	H4	C1	H5	106.624
H6	N2	H7	104.824

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

using model chemistry: B1B95/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	-0.015
2	N	-0.230
3	H	0.011
4	H	0.036
5	H	0.036
6	H	0.081
7	H	0.081

	x	y	z	Total
	-1.274	0.246	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	2.650	0.152	0.000
y	0.152	3.263	0.000
z	0.000	0.000	2.956

<r²>	26.427
(<r²>)^1/2	5.141

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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