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	hartrees
Energy at 0K	-95.865548
Energy at 298.15K
HF Energy	-95.865548
Nuclear repulsion energy	42.089570

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'	3522	3522	0.81	127.73	0.07	0.14
2	A'	3067	3067	30.65	107.81	0.26	0.42
3	A'	2975	2975	88.05	171.97	0.11	0.20
4	A'	1657	1657	20.77	2.66	0.69	0.82
5	A'	1491	1491	6.83	5.67	0.66	0.79
6	A'	1450	1450	1.57	0.89	0.39	0.56
7	A'	1164	1164	5.46	0.34	0.09	0.17
8	A'	1073	1073	13.12	7.50	0.14	0.24
9	A'	821	821	144.28	1.74	0.22	0.36
10	A"	3600	3600	2.37	50.09	0.75	0.86
11	A"	3104	3104	26.56	58.16	0.75	0.86
12	A"	1511	1511	4.81	5.78	0.75	0.86
13	A"	1341	1341	0.12	0.29	0.75	0.86
14	A"	970	970	0.11	0.10	0.75	0.86
15	A"	293	293	31.82	0.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.703	0.000
N2	0.049	-0.755	0.000
H3	-0.945	1.171	0.000
H4	0.588	1.063	0.877
H5	0.588	1.063	-0.877
H6	-0.435	-1.115	-0.812
H7	-0.435	-1.115	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4575	1.0984	1.0912	1.0912	2.0487	2.0487
N2	1.4575		2.1667	2.0896	2.0896	1.0116	1.0116
H3	1.0984	2.1667		1.7696	1.7696	2.4783	2.4783
H4	1.0912	2.0896	1.7696		1.7548	2.9404	2.4076
H5	1.0912	2.0896	1.7696	1.7548		2.4076	2.9404
H6	2.0487	1.0116	2.4783	2.9404	2.4076		1.6238
H7	2.0487	1.0116	2.4783	2.4076	2.9404	1.6238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.854	C1	N2	H7	110.854
N2	C1	H3	115.210	N2	C1	H4	109.305
N2	C1	H5	109.305	H3	C1	H4	107.834
H3	C1	H5	107.834	H4	C1	H5	107.040
H6	N2	H7	106.766

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

using model chemistry: B3PW91/daug-cc-pVTZ

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	-0.890
2	N	-0.606
3	H	0.400
4	H	0.445
5	H	0.445
6	H	0.103
7	H	0.103

	x	y	z	Total
	-1.239	0.334	0.000	1.283
CHELPG
AIM
ESP

	x	y	z
x	3.717	-0.028	0.000
y	-0.028	4.274	0.000
z	0.000	0.000	3.602

<r²>	26.685
(<r²>)^1/2	5.166

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

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

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