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	hartrees
Energy at 0K	-94.625703
Energy at 298.15K
HF Energy	-94.625703
Nuclear repulsion energy	41.024853

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'	3538	3538	14.64	44.15	0.08	0.14
2	A'	3462	3462	4.64	36.15	0.58	0.74
3	A'	3302	3302	10.81	38.68	0.04	0.08
4	A'	1876	1876	6.16	11.70	0.70	0.83
5	A'	1686	1686	6.10	17.13	0.75	0.86
6	A'	1605	1605	0.93	4.24	0.75	0.85
7	A'	1294	1294	9.44	3.95	0.73	0.84
8	A'	1144	1144	0.52	9.05	0.36	0.53
9	A'	966	966	67.12	3.48	0.49	0.66
10	A"	3722	3722	13.37	28.07	0.75	0.86
11	A"	3509	3509	0.43	27.98	0.75	0.86
12	A"	1700	1700	1.62	16.46	0.75	0.86
13	A"	1505	1505	1.95	9.70	0.75	0.86
14	A"	1047	1047	0.03	0.48	0.75	0.86
15	A"	349	349	40.12	2.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.064	0.720	0.000
N2	0.064	-0.790	0.000
H3	-0.945	1.179	0.000
H4	0.604	1.074	0.893
H5	0.604	1.074	-0.893
H6	-0.545	-1.060	-0.822
H7	-0.545	-1.060	0.822

	C1	N2	H3	H4	H5	H6	H7
C1		1.5101	1.1078	1.1018	1.1018	2.0532	2.0532
N2	1.5101		2.2123	2.1360	2.1360	1.0580	1.0580
H3	1.1078	2.2123		1.7903	1.7903	2.4189	2.4189
H4	1.1018	2.1360	1.7903		1.7857	2.9690	2.4243
H5	1.1018	2.1360	1.7903	1.7857		2.4243	2.9690
H6	2.0532	1.0580	2.4189	2.9690	2.4243		1.6449
H7	2.0532	1.0580	2.4189	2.4243	2.9690	1.6449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	104.792	C1	N2	H7	104.792
N2	C1	H3	114.485	N2	C1	H4	108.728
N2	C1	H5	108.728	H3	C1	H4	108.235
H3	C1	H5	108.235	H4	C1	H5	108.270
H6	N2	H7	102.033

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

using model chemistry: wB97X-D/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	-0.156
2	N	-0.368
3	H	0.062
4	H	0.081
5	H	0.081
6	H	0.150
7	H	0.150

	x	y	z	Total
	-1.581	0.627	0.000	1.701
CHELPG
AIM
ESP

	x	y	z
x	1.168	0.261	0.000
y	0.261	1.619	0.000
z	0.000	0.000	1.617

<r²>	26.717
(<r²>)^1/2	5.169

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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