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	hartrees
Energy at 0K	-95.843675
Energy at 298.15K
HF Energy	-95.843675
Nuclear repulsion energy	42.077570

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'	3569	3397	0.08	100.62	0.10	0.18
2	A'	3106	2956	35.12	99.25	0.37	0.54
3	A'	3005	2860	101.08	153.97	0.15	0.26
4	A'	1683	1602	36.11	4.96	0.75	0.85
5	A'	1508	1436	8.70	13.38	0.71	0.83
6	A'	1468	1397	2.52	4.78	0.74	0.85
7	A'	1174	1117	7.16	0.76	0.75	0.86
8	A'	1095	1042	14.66	8.27	0.23	0.37
9	A'	827	787	198.21	2.36	0.66	0.80
10	A"	3663	3486	3.44	52.90	0.75	0.86
11	A"	3150	2998	29.35	70.11	0.75	0.86
12	A"	1527	1453	5.28	13.69	0.75	0.86
13	A"	1349	1284	0.01	1.89	0.75	0.86
14	A"	978	931	0.19	0.04	0.75	0.86
15	A"	315	300	44.15	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.702	0.000
N2	0.048	-0.753	0.000
H3	-0.947	1.174	0.000
H4	0.589	1.062	0.879
H5	0.589	1.062	-0.879
H6	-0.426	-1.120	-0.816
H7	-0.426	-1.120	0.816

	C1	N2	H3	H4	H5	H6	H7
C1		1.4557	1.1007	1.0929	1.0929	2.0522	2.0522
N2	1.4557		2.1690	2.0880	2.0880	1.0123	1.0123
H3	1.1007	2.1690		1.7730	1.7730	2.4899	2.4899
H4	1.0929	2.0880	1.7730		1.7574	2.9433	2.4074
H5	1.0929	2.0880	1.7730	1.7574		2.4074	2.9433
H6	2.0522	1.0123	2.4899	2.9433	2.4074		1.6315
H7	2.0522	1.0123	2.4899	2.4074	2.9433	1.6315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.239	C1	N2	H7	111.239
N2	C1	H3	115.382	N2	C1	H4	109.199
N2	C1	H5	109.199	H3	C1	H4	107.853
H3	C1	H5	107.853	H4	C1	H5	107.036
H6	N2	H7	107.379

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.425
2	N	-0.623
3	H	0.138
4	H	0.162
5	H	0.162
6	H	0.293
7	H	0.293

	x	y	z	Total
	-1.411	0.400	0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	3.152	-0.076	0.000
y	-0.076	3.528	0.000
z	0.000	0.000	3.066

<r²>	26.720
(<r²>)^1/2	5.169

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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