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	hartrees
Energy at 0K	-95.859650
Energy at 298.15K
HF Energy	-95.859650
Nuclear repulsion energy	42.099901

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'	3540	3387	0.67	102.81	0.12	0.21
2	A'	3084	2950	40.68	96.79	0.27	0.42
3	A'	2980	2851	97.79	144.38	0.16	0.28
4	A'	1675	1602	24.60	6.80	0.72	0.84
5	A'	1500	1435	7.79	15.85	0.67	0.80
6	A'	1463	1400	2.12	4.75	0.66	0.79
7	A'	1177	1126	6.66	2.22	0.49	0.65
8	A'	1089	1042	11.18	7.85	0.30	0.46
9	A'	853	816	167.44	2.89	0.69	0.82
10	A"	3620	3463	0.08	61.49	0.75	0.86
11	A"	3123	2988	35.21	72.44	0.75	0.86
12	A"	1522	1456	3.86	15.19	0.75	0.86
13	A"	1357	1298	0.28	1.93	0.75	0.86
14	A"	983	940	0.05	0.22	0.75	0.86
15	A"	320	306	40.32	1.32	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	1.176	0.000
H4	0.592	1.062	0.877
H5	0.592	1.062	-0.877
H6	-0.446	-1.105	-0.810
H7	-0.446	-1.105	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4561	1.1006	1.0923	1.0923	2.0397	2.0397
N2	1.4561		2.1722	2.0900	2.0900	1.0121	1.0121
H3	1.1006	2.1722		1.7704	1.7704	2.4710	2.4710
H4	1.0923	2.0900	1.7704		1.7535	2.9358	2.4037
H5	1.0923	2.0900	1.7704	1.7535		2.4037	2.9358
H6	2.0397	1.0121	2.4710	2.9358	2.4037		1.6202
H7	2.0397	1.0121	2.4710	2.4037	2.9358	1.6202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.158	C1	N2	H7	110.158
N2	C1	H3	115.639	N2	C1	H4	109.359
N2	C1	H5	109.359	H3	C1	H4	107.669
H3	C1	H5	107.669	H4	C1	H5	106.777
H6	N2	H7	106.335

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	-0.233
2	N	-0.495
3	H	0.095
4	H	0.121
5	H	0.121
6	H	0.196
7	H	0.196

	x	y	z	Total
	-1.348	0.325	0.000	1.386
CHELPG
AIM
ESP

	x	y	z
x	2.765	0.119	0.000
y	0.119	3.343	0.000
z	0.000	0.000	3.056

<r²>	26.483
(<r²>)^1/2	5.146

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)