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	hartrees
Energy at 0K	-95.837705
Energy at 298.15K
HF Energy	-95.837705
Nuclear repulsion energy	42.021586

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'	3570	3400	0.08	98.18	0.10	0.19
2	A'	3101	2953	37.16	96.74	0.38	0.55
3	A'	3001	2857	96.96	145.76	0.14	0.24
4	A'	1682	1602	37.26	5.06	0.73	0.85
5	A'	1512	1440	8.39	13.85	0.71	0.83
6	A'	1473	1403	2.60	4.77	0.74	0.85
7	A'	1177	1121	7.50	0.92	0.75	0.86
8	A'	1098	1045	15.11	8.81	0.22	0.36
9	A'	825	786	199.54	2.43	0.68	0.81
10	A"	3664	3490	3.20	51.82	0.75	0.86
11	A"	3145	2995	31.99	69.87	0.75	0.86
12	A"	1529	1456	5.10	14.23	0.75	0.86
13	A"	1349	1285	0.00	2.14	0.75	0.86
14	A"	984	937	0.13	0.04	0.75	0.86
15	A"	312	298	44.48	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.704	0.000
N2	0.048	-0.754	0.000
H3	-0.949	1.171	0.000
H4	0.589	1.062	0.880
H5	0.589	1.062	-0.880
H6	-0.425	-1.121	-0.818
H7	-0.425	-1.121	0.818

	C1	N2	H3	H4	H5	H6	H7
C1		1.4590	1.1011	1.0936	1.0936	2.0554	2.0554
N2	1.4590		2.1687	2.0902	2.0902	1.0133	1.0133
H3	1.1011	2.1687		1.7757	1.7757	2.4895	2.4895
H4	1.0936	2.0902	1.7757		1.7606	2.9460	2.4084
H5	1.0936	2.0902	1.7757	1.7606		2.4084	2.9460
H6	2.0554	1.0133	2.4895	2.9460	2.4084		1.6351
H7	2.0554	1.0133	2.4895	2.4084	2.9460	1.6351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.205	C1	N2	H7	111.205
N2	C1	H3	115.090	N2	C1	H4	109.106
N2	C1	H5	109.106	H3	C1	H4	108.022
H3	C1	H5	108.022	H4	C1	H5	107.215
H6	N2	H7	107.575

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

using model chemistry: wB97X-D/6-31+G**

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	-0.381
2	N	-0.636
3	H	0.128
4	H	0.154
5	H	0.154
6	H	0.291
7	H	0.291

	x	y	z	Total
	-1.432	0.431	0.000	1.496
CHELPG
AIM
ESP

	x	y	z
x	3.166	-0.072	0.000
y	-0.072	3.500	0.000
z	0.000	0.000	3.089

<r²>	26.759
(<r²>)^1/2	5.173

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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