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	hartrees
Energy at 0K	-95.773887
Energy at 298.15K
HF Energy	-95.773887
Nuclear repulsion energy	42.121571

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'	3546	3403	0.02	110.12	0.11	0.19
2	A'	3084	2960	35.15	102.09	0.28	0.44
3	A'	2985	2864	94.50	159.37	0.14	0.25
4	A'	1672	1604	29.25	7.04	0.73	0.85
5	A'	1493	1433	7.92	19.01	0.63	0.77
6	A'	1459	1400	2.50	5.38	0.67	0.80
7	A'	1169	1122	6.85	2.81	0.54	0.70
8	A'	1089	1045	12.26	8.38	0.30	0.46
9	A'	828	794	188.03	2.59	0.75	0.86
10	A"	3631	3484	1.18	58.90	0.75	0.86
11	A"	3124	2998	30.54	71.04	0.75	0.86
12	A"	1515	1454	4.49	16.62	0.75	0.86
13	A"	1349	1294	0.07	1.86	0.75	0.86
14	A"	978	939	0.10	0.02	0.75	0.86
15	A"	313	300	42.29	0.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.700	0.000
N2	0.048	-0.753	0.000
H3	-0.945	1.174	0.000
H4	0.590	1.063	0.877
H5	0.590	1.063	-0.877
H6	-0.431	-1.115	-0.814
H7	-0.431	-1.115	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4536	1.1005	1.0925	1.0925	2.0466	2.0466
N2	1.4536		2.1682	2.0879	2.0879	1.0115	1.0115
H3	1.1005	2.1682		1.7712	1.7712	2.4836	2.4836
H4	1.0925	2.0879	1.7712		1.7539	2.9400	2.4060
H5	1.0925	2.0879	1.7712	1.7539		2.4060	2.9400
H6	2.0466	1.0115	2.4836	2.9400	2.4060		1.6279
H7	2.0466	1.0115	2.4836	2.4060	2.9400	1.6279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.975	C1	N2	H7	110.975
N2	C1	H3	115.496	N2	C1	H4	109.362
N2	C1	H5	109.362	H3	C1	H4	107.740
H3	C1	H5	107.740	H4	C1	H5	106.784
H6	N2	H7	107.168

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

using model chemistry: PBE1PBE/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	-0.294
2	N	-0.458
3	H	0.098
4	H	0.125
5	H	0.125
6	H	0.202
7	H	0.202

	x	y	z	Total
	-1.369	0.345	0.000	1.412
CHELPG
AIM
ESP

	x	y	z
x	3.013	0.049	0.000
y	0.049	3.488	0.000
z	0.000	0.000	3.185

<r²>	26.604
(<r²>)^1/2	5.158

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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