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	hartrees
Energy at 0K	-94.593690
Energy at 298.15K
HF Energy	-94.593690
Nuclear repulsion energy	41.147324

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'	3539	3125	13.82	44.94	0.08	0.14
2	A'	3459	3055	4.99	37.15	0.58	0.73
3	A'	3300	2914	12.64	40.34	0.04	0.08
4	A'	1868	1650	6.48	11.73	0.70	0.82
5	A'	1678	1482	6.42	17.35	0.75	0.86
6	A'	1595	1408	0.77	4.53	0.74	0.85
7	A'	1286	1136	8.83	3.99	0.74	0.85
8	A'	1140	1007	0.23	8.91	0.35	0.52
9	A'	954	842	71.07	3.56	0.55	0.71
10	A"	3723	3288	11.84	28.61	0.75	0.86
11	A"	3508	3098	0.46	28.43	0.75	0.86
12	A"	1692	1494	1.78	16.71	0.75	0.86
13	A"	1499	1323	2.04	9.55	0.75	0.86
14	A"	1037	916	0.01	0.51	0.75	0.86
15	A"	355	313	40.74	2.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.063	0.716	0.000
N2	0.063	-0.786	0.000
H3	-0.941	1.181	0.000
H4	0.603	1.070	0.891
H5	0.603	1.070	-0.891
H6	-0.544	-1.058	-0.821
H7	-0.544	-1.058	0.821

	C1	N2	H3	H4	H5	H6	H7
C1		1.5028	1.1064	1.1000	1.1000	2.0473	2.0473
N2	1.5028		2.2090	2.1289	2.1289	1.0564	1.0564
H3	1.1064	2.2090		1.7860	1.7860	2.4180	2.4180
H4	1.1000	2.1289	1.7860		1.7811	2.9623	2.4188
H5	1.1000	2.1289	1.7860	1.7811		2.4188	2.9623
H6	2.0473	1.0564	2.4180	2.9623	2.4188		1.6420
H7	2.0473	1.0564	2.4180	2.4188	2.9623	1.6420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	104.907	C1	N2	H7	104.907
N2	C1	H3	114.841	N2	C1	H4	108.761
N2	C1	H5	108.761	H3	C1	H4	108.090
H3	C1	H5	108.090	H4	C1	H5	108.110
H6	N2	H7	101.998

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

using model chemistry: B1B95/STO-3G

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	-0.163
2	N	-0.372
3	H	0.064
4	H	0.083
5	H	0.083
6	H	0.153
7	H	0.153

	x	y	z	Total
	-1.582	0.607	0.000	1.695
CHELPG
AIM
ESP

	x	y	z
x	1.166	0.258	0.000
y	0.258	1.618	0.000
z	0.000	0.000	1.613

<r²>	26.591
(<r²>)^1/2	5.157

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

using model chemistry: B1B95/STO-3G

States and conformations

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