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	hartrees
Energy at 0K	-95.849398
Energy at 298.15K
HF Energy	-95.849398
Nuclear repulsion energy	42.120591

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'	3539	3377	2.71	102.13	0.13	0.23
2	A'	3090	2949	45.06	94.53	0.28	0.43
3	A'	2983	2847	107.64	139.75	0.18	0.31
4	A'	1733	1654	33.61	7.15	0.74	0.85
5	A'	1521	1451	8.77	17.12	0.68	0.81
6	A'	1477	1410	2.08	5.88	0.67	0.80
7	A'	1191	1137	8.58	2.76	0.47	0.64
8	A'	1093	1043	10.98	7.85	0.31	0.47
9	A'	874	835	183.28	2.92	0.68	0.81
10	A"	3618	3453	0.35	64.07	0.75	0.86
11	A"	3129	2987	40.21	74.39	0.75	0.86
12	A"	1542	1472	4.40	16.86	0.75	0.86
13	A"	1376	1313	0.24	2.44	0.75	0.86
14	A"	992	947	0.05	0.26	0.75	0.86
15	A"	331	316	45.76	1.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.700	0.000
N2	0.050	-0.756	0.000
H3	-0.942	1.175	0.000
H4	0.592	1.061	0.877
H5	0.592	1.061	-0.877
H6	-0.446	-1.103	-0.811
H7	-0.446	-1.103	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4553	1.1005	1.0919	1.0919	2.0379	2.0379
N2	1.4553		2.1711	2.0884	2.0884	1.0118	1.0118
H3	1.1005	2.1711		1.7706	1.7706	2.4688	2.4688
H4	1.0919	2.0884	1.7706		1.7531	2.9337	2.4009
H5	1.0919	2.0884	1.7706	1.7531		2.4009	2.9337
H6	2.0379	1.0118	2.4688	2.9337	2.4009		1.6212
H7	2.0379	1.0118	2.4688	2.4009	2.9337	1.6212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.090	C1	N2	H7	110.090
N2	C1	H3	115.610	N2	C1	H4	109.319
N2	C1	H5	109.319	H3	C1	H4	107.720
H3	C1	H5	107.720	H4	C1	H5	106.790
H6	N2	H7	106.468

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

using model chemistry: mPW1PW91/6-311G*

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	-0.511
2	N	-0.765
3	H	0.191
4	H	0.222
5	H	0.222
6	H	0.320
7	H	0.320

	x	y	z	Total
	-1.441	0.334	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	2.674	0.115	0.000
y	0.115	3.230	0.000
z	0.000	0.000	2.978

<r²>	26.501
(<r²>)^1/2	5.148

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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