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	hartrees
Energy at 0K	-95.839351
Energy at 298.15K
HF Energy	-95.839351
Nuclear repulsion energy	41.937240

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	3513	1.09	129.19	0.07	0.14
2	A'	3077	3077	33.76	105.40	0.31	0.47
3	A'	2981	2981	91.60	176.47	0.10	0.18
4	A'	1645	1645	20.53	2.71	0.70	0.82
5	A'	1468	1468	6.80	5.79	0.66	0.80
6	A'	1427	1427	1.69	0.95	0.46	0.63
7	A'	1158	1158	5.56	0.55	0.07	0.13
8	A'	1081	1081	13.02	7.76	0.14	0.25
9	A'	826	826	138.39	1.94	0.22	0.36
10	A"	3596	3596	1.49	51.20	0.75	0.86
11	A"	3117	3117	29.12	59.24	0.75	0.86
12	A"	1489	1489	4.61	6.00	0.75	0.86
13	A"	1332	1332	0.19	0.25	0.75	0.86
14	A"	967	967	0.11	0.09	0.75	0.86
15	A"	302	302	32.11	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.703	0.000
N2	0.050	-0.757	0.000
H3	-0.950	1.175	0.000
H4	0.594	1.065	0.883
H5	0.594	1.065	-0.883
H6	-0.445	-1.114	-0.813
H7	-0.445	-1.114	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4604	1.1054	1.0982	1.0982	2.0515	2.0515
N2	1.4604		2.1756	2.0966	2.0966	1.0163	1.0163
H3	1.1054	2.1756		1.7813	1.7813	2.4813	2.4813
H4	1.0982	2.0966	1.7813		1.7662	2.9501	2.4150
H5	1.0982	2.0966	1.7813	1.7662		2.4150	2.9501
H6	2.0515	1.0163	2.4813	2.9501	2.4150		1.6256
H7	2.0515	1.0163	2.4813	2.4150	2.9501	1.6256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.569	C1	N2	H7	110.569
N2	C1	H3	115.272	N2	C1	H4	109.240
N2	C1	H5	109.240	H3	C1	H4	107.864
H3	C1	H5	107.864	H4	C1	H5	107.048
H6	N2	H7	106.207

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

using model chemistry: B3PW91/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	1.196
2	N	-0.227
3	H	-0.309
4	H	-0.301
5	H	-0.301
6	H	-0.028
7	H	-0.028

	x	y	z	Total
	-1.253	0.350	0.000	1.301
CHELPG
AIM
ESP

	x	y	z
x	3.764	-0.028	0.000
y	-0.028	4.306	0.000
z	0.000	0.000	3.640

<r²>	26.835
(<r²>)^1/2	5.180

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

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

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