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	hartrees
Energy at 0K	-18.550067
Energy at 298.15K
HF Energy	-18.550067
Nuclear repulsion energy	26.209490

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'	3477	3358	2.86	100.31	0.12	0.21
2	A'	3074	2968	56.34	99.34	0.25	0.39
3	A'	2973	2871	119.60	136.92	0.15	0.26
4	A'	1679	1621	23.86	12.12	0.70	0.82
5	A'	1494	1442	8.18	19.76	0.73	0.85
6	A'	1453	1403	2.64	5.82	0.67	0.81
7	A'	1162	1122	6.15	5.88	0.50	0.67
8	A'	1045	1009	11.30	15.08	0.33	0.50
9	A'	866	837	166.61	4.64	0.45	0.62
10	A"	3565	3443	0.75	59.59	0.75	0.86
11	A"	3110	3004	54.84	74.28	0.75	0.86
12	A"	1512	1460	3.42	21.26	0.75	0.86
13	A"	1340	1295	0.41	6.29	0.75	0.86
14	A"	961	928	0.01	0.31	0.75	0.86
15	A"	320	309	48.90	1.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.713	0.000
N2	0.052	-0.771	0.000
H3	-0.953	1.190	0.000
H4	0.600	1.073	0.889
H5	0.600	1.073	-0.889
H6	-0.465	-1.108	-0.818
H7	-0.465	-1.108	0.818

	C1	N2	H3	H4	H5	H6	H7
C1		1.4840	1.1129	1.1045	1.1045	2.0624	2.0624
N2	1.4840		2.2037	2.1189	2.1189	1.0249	1.0249
H3	1.1129	2.2037		1.7936	1.7936	2.4878	2.4878
H4	1.1045	2.1189	1.7936		1.7784	2.9673	2.4280
H5	1.1045	2.1189	1.7936	1.7784		2.4280	2.9673
H6	2.0624	1.0249	2.4878	2.9673	2.4280		1.6360
H7	2.0624	1.0249	2.4878	2.4280	2.9673	1.6360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.211	C1	N2	H7	109.211
N2	C1	H3	115.373	N2	C1	H4	109.000
N2	C1	H5	109.000	H3	C1	H4	107.972
H3	C1	H5	107.972	H4	C1	H5	107.229
H6	N2	H7	105.906

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

using model chemistry: B3LYP/CEP-31G*

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	-0.503
2	N	-0.499
3	H	0.148
4	H	0.176
5	H	0.176
6	H	0.251
7	H	0.251

	x	y	z	Total
	-1.564	0.474	0.000	1.634
CHELPG
AIM
ESP

	x	y	z
x	2.394	0.100	0.000
y	0.100	3.133	0.000
z	0.000	0.000	2.850

<r²>	24.737
(<r²>)^1/2	4.974

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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