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	hartrees
Energy at 0K	-95.844419
Energy at 298.15K
HF Energy	-95.844419
Nuclear repulsion energy	41.629989

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'	3384	3375	1.72	127.39	0.11	0.19
2	A'	2983	2976	36.86	115.13	0.21	0.35
3	A'	2875	2868	110.99	171.98	0.20	0.34
4	A'	1629	1625	23.35	8.28	0.72	0.84
5	A'	1458	1455	8.16	22.86	0.60	0.75
6	A'	1426	1422	2.81	5.68	0.62	0.76
7	A'	1134	1131	6.23	4.85	0.44	0.61
8	A'	1006	1003	5.97	9.21	0.32	0.49
9	A'	807	805	176.81	3.07	0.73	0.85
10	A"	3462	3453	0.16	67.63	0.75	0.86
11	A"	3018	3011	36.09	75.84	0.75	0.86
12	A"	1482	1479	3.40	17.70	0.75	0.86
13	A"	1313	1310	0.05	2.41	0.75	0.86
14	A"	954	952	0.02	0.02	0.75	0.86
15	A"	303	302	39.58	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.713	0.000
N2	0.050	-0.766	0.000
H3	-0.949	1.191	0.000
H4	0.595	1.071	0.883
H5	0.595	1.071	-0.883
H6	-0.444	-1.124	-0.820
H7	-0.444	-1.124	0.820

	C1	N2	H3	H4	H5	H6	H7
C1		1.4783	1.1072	1.0981	1.0981	2.0711	2.0711
N2	1.4783		2.1967	2.1099	2.1099	1.0217	1.0217
H3	1.1072	2.1967		1.7823	1.7823	2.5074	2.5074
H4	1.0981	2.1099	1.7823		1.7666	2.9663	2.4296
H5	1.0981	2.1099	1.7823	1.7666		2.4296	2.9663
H6	2.0711	1.0217	2.5074	2.9663	2.4296		1.6393
H7	2.0711	1.0217	2.5074	2.4296	2.9663	1.6393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.541	C1	N2	H7	110.541
N2	C1	H3	115.598	N2	C1	H4	109.064
N2	C1	H5	109.064	H3	C1	H4	107.844
H3	C1	H5	107.844	H4	C1	H5	107.103
H6	N2	H7	106.683

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

using model chemistry: BLYP/TZVP

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	-0.282
2	N	-0.445
3	H	0.097
4	H	0.123
5	H	0.123
6	H	0.192
7	H	0.192

	x	y	z	Total
	-1.355	0.371	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	3.170	0.056	0.000
y	0.056	3.744	0.000
z	0.000	0.000	3.361

<r²>	27.250
(<r²>)^1/2	5.220

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

using model chemistry: BLYP/TZVP

States and conformations

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