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	hartrees
Energy at 0K	-95.860514
Energy at 298.15K
HF Energy	-95.860514
Nuclear repulsion energy	42.070408

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'	3526	3400	0.07	110.81	0.11	0.19
2	A'	3071	2962	36.21	103.60	0.26	0.42
3	A'	2970	2864	98.46	160.84	0.15	0.26
4	A'	1668	1608	28.09	7.15	0.73	0.85
5	A'	1492	1439	8.03	19.40	0.63	0.77
6	A'	1458	1406	2.52	5.44	0.65	0.79
7	A'	1166	1124	6.68	3.17	0.51	0.68
8	A'	1075	1037	11.52	8.20	0.31	0.47
9	A'	822	793	187.51	2.57	0.75	0.86
10	A"	3610	3481	0.76	59.39	0.75	0.86
11	A"	3111	3000	32.02	71.41	0.75	0.86
12	A"	1514	1460	4.21	16.66	0.75	0.86
13	A"	1345	1297	0.06	1.99	0.75	0.86
14	A"	976	942	0.09	0.02	0.75	0.86
15	A"	311	300	41.98	0.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.702	0.000
N2	0.048	-0.755	0.000
H3	-0.945	1.175	0.000
H4	0.589	1.064	0.877
H5	0.589	1.064	-0.877
H6	-0.430	-1.117	-0.815
H7	-0.430	-1.117	0.815

	C1	N2	H3	H4	H5	H6	H7
C1		1.4568	1.1006	1.0924	1.0924	2.0503	2.0503
N2	1.4568		2.1708	2.0903	2.0903	1.0121	1.0121
H3	1.1006	2.1708		1.7714	1.7714	2.4872	2.4872
H4	1.0924	2.0903	1.7714		1.7545	2.9429	2.4089
H5	1.0924	2.0903	1.7714	1.7545		2.4089	2.9429
H6	2.0503	1.0121	2.4872	2.9429	2.4089		1.6290
H7	2.0503	1.0121	2.4872	2.4089	2.9429	1.6290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.011	C1	N2	H7	111.011
N2	C1	H3	115.464	N2	C1	H4	109.337
N2	C1	H5	109.337	H3	C1	H4	107.754
H3	C1	H5	107.754	H4	C1	H5	106.848
H6	N2	H7	107.179

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

using model chemistry: B3PW91/TZVP

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	-0.288
2	N	-0.466
3	H	0.098
4	H	0.125
5	H	0.125
6	H	0.203
7	H	0.203

	x	y	z	Total
	-1.367	0.352	0.000	1.412
CHELPG
AIM
ESP

	x	y	z
x	3.019	0.047	0.000
y	0.047	3.508	0.000
z	0.000	0.000	3.190

<r²>	26.637
(<r²>)^1/2	5.161

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

using model chemistry: B3PW91/TZVP

States and conformations

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