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	hartrees
Energy at 0K	-95.840835
Energy at 298.15K
HF Energy	-95.840835
Nuclear repulsion energy	41.947792

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'	3545	3394	0.71	115.51	0.08	0.14
2	A'	3094	2962	34.03	96.20	0.32	0.48
3	A'	2999	2871	84.89	159.04	0.08	0.16
4	A'	1653	1582	21.86	2.58	0.73	0.84
5	A'	1481	1418	6.92	4.65	0.69	0.82
6	A'	1444	1382	1.68	0.61	0.49	0.66
7	A'	1166	1116	5.78	0.30	0.13	0.23
8	A'	1095	1048	13.89	8.99	0.14	0.24
9	A'	829	794	141.67	0.96	0.35	0.52
10	A"	3630	3475	2.17	46.22	0.75	0.86
11	A"	3135	3001	29.62	55.66	0.75	0.86
12	A"	1499	1435	5.11	5.57	0.75	0.86
13	A"	1340	1283	0.16	0.41	0.75	0.86
14	A"	978	936	0.06	0.10	0.75	0.86
15	A"	307	294	33.08	0.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.704	0.000
N2	0.050	-0.756	0.000
H3	-0.951	1.171	0.000
H4	0.593	1.065	0.884
H5	0.593	1.065	-0.884
H6	-0.440	-1.115	-0.814
H7	-0.440	-1.115	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4607	1.1047	1.0979	1.0979	2.0524	2.0524
N2	1.4607		2.1720	2.0956	2.0956	1.0153	1.0153
H3	1.1047	2.1720		1.7824	1.7824	2.4799	2.4799
H4	1.0979	2.0956	1.7824		1.7672	2.9494	2.4132
H5	1.0979	2.0956	1.7824	1.7672		2.4132	2.9494
H6	2.0524	1.0153	2.4799	2.9494	2.4132		1.6272
H7	2.0524	1.0153	2.4799	2.4132	2.9494	1.6272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.691	C1	N2	H7	110.691
N2	C1	H3	114.994	N2	C1	H4	109.156
N2	C1	H5	109.156	H3	C1	H4	108.040
H3	C1	H5	108.040	H4	C1	H5	107.176
H6	N2	H7	106.511

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.824
2	N	-0.170
3	H	-0.166
4	H	-0.199
5	H	-0.199
6	H	-0.045
7	H	-0.045

	x	y	z	Total
	-1.286	0.380	0.000	1.341
CHELPG
AIM
ESP

	x	y	z
x	3.692	-0.019	0.000
y	-0.019	4.185	0.000
z	0.000	0.000	3.593

<r²>	26.811
(<r²>)^1/2	5.178

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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