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	hartrees
Energy at 0K	-95.899975
Energy at 298.15K
HF Energy	-95.899975
Nuclear repulsion energy	42.008365

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'	3493	3376	0.67	114.34	0.10	0.18
2	A'	3053	2951	37.25	106.31	0.22	0.36
3	A'	2959	2861	94.72	151.76	0.16	0.27
4	A'	1665	1609	19.44	5.41	0.66	0.79
5	A'	1498	1448	6.50	11.88	0.64	0.78
6	A'	1459	1410	1.73	3.09	0.49	0.66
7	A'	1173	1133	6.99	2.15	0.37	0.54
8	A'	1054	1018	9.26	8.14	0.27	0.43
9	A'	841	813	155.46	2.26	0.62	0.76
10	A"	3568	3449	0.16	59.99	0.75	0.86
11	A"	3086	2983	33.11	68.77	0.75	0.86
12	A"	1519	1468	3.41	10.79	0.75	0.86
13	A"	1350	1305	0.06	1.27	0.75	0.86
14	A"	976	943	0.08	0.07	0.75	0.86
15	A"	300	290	33.70	0.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.705	0.000
N2	0.050	-0.759	0.000
H3	-0.942	1.176	0.000
H4	0.589	1.065	0.877
H5	0.589	1.065	-0.877
H6	-0.443	-1.112	-0.811
H7	-0.443	-1.112	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4636	1.0982	1.0906	1.0906	2.0494	2.0494
N2	1.4636		2.1739	2.0943	2.0943	1.0125	1.0125
H3	1.0982	2.1739		1.7683	1.7683	2.4772	2.4772
H4	1.0906	2.0943	1.7683		1.7538	2.9414	2.4100
H5	1.0906	2.0943	1.7683	1.7538		2.4100	2.9414
H6	2.0494	1.0125	2.4772	2.9414	2.4100		1.6215
H7	2.0494	1.0125	2.4772	2.4100	2.9414	1.6215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.387	C1	N2	H7	110.387
N2	C1	H3	115.377	N2	C1	H4	109.282
N2	C1	H5	109.282	H3	C1	H4	107.774
H3	C1	H5	107.774	H4	C1	H5	107.029
H6	N2	H7	106.397

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

using model chemistry: B3LYP/cc-pVTZ

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	-0.180
2	N	-0.332
3	H	0.059
4	H	0.094
5	H	0.094
6	H	0.132
7	H	0.132

	x	y	z	Total
	-1.237	0.299	0.000	1.273
CHELPG
AIM
ESP	-1.217	0.292	0.000	1.252

	x	y	z
x	3.115	0.100	0.000
y	0.100	3.734	0.000
z	0.000	0.000	3.321

<r²>	26.733
(<r²>)^1/2	5.170

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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