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	hartrees
Energy at 0K	-95.828245
Energy at 298.15K
HF Energy	-95.828245
Nuclear repulsion energy	41.923463

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'	3519	3352	0.76	107.93	0.11	0.20
2	A'	3086	2939	41.25	100.57	0.31	0.48
3	A'	2978	2837	90.05	149.34	0.14	0.25
4	A'	1662	1583	17.00	7.53	0.70	0.82
5	A'	1484	1413	8.58	17.84	0.68	0.81
6	A'	1453	1384	2.99	5.15	0.65	0.78
7	A'	1180	1124	6.70	2.56	0.49	0.65
8	A'	1101	1049	12.57	8.30	0.30	0.46
9	A'	879	837	140.00	3.67	0.64	0.78
10	A"	3598	3427	0.10	65.89	0.75	0.86
11	A"	3130	2982	30.69	79.42	0.75	0.86
12	A"	1502	1431	2.79	17.85	0.75	0.86
13	A"	1355	1291	0.39	1.83	0.75	0.86
14	A"	989	942	0.02	0.29	0.75	0.86
15	A"	329	314	37.42	1.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	0.699	0.000
N2	0.053	-0.759	0.000
H3	-0.946	1.182	0.000
H4	0.598	1.066	0.884
H5	0.598	1.066	-0.884
H6	-0.468	-1.097	-0.809
H7	-0.468	-1.097	0.809

	C1	N2	H3	H4	H5	H6	H7
C1		1.4581	1.1094	1.1012	1.1012	2.0379	2.0379
N2	1.4581		2.1830	2.0994	2.0994	1.0200	1.0200
H3	1.1094	2.1830		1.7826	1.7826	2.4657	2.4657
H4	1.1012	2.0994	1.7826		1.7681	2.9463	2.4122
H5	1.1012	2.0994	1.7826	1.7681		2.4122	2.9463
H6	2.0379	1.0200	2.4657	2.9463	2.4122		1.6186
H7	2.0379	1.0200	2.4657	2.4122	2.9463	1.6186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.374	C1	N2	H7	109.374
N2	C1	H3	115.810	N2	C1	H4	109.435
N2	C1	H5	109.435	H3	C1	H4	107.489
H3	C1	H5	107.489	H4	C1	H5	106.799
H6	N2	H7	105.018

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.036
2	N	-0.250
3	H	0.019
4	H	0.045
5	H	0.045
6	H	0.089
7	H	0.089

	x	y	z	Total
	-1.301	0.286	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	2.642	0.153	0.000
y	0.153	3.225	0.000
z	0.000	0.000	2.952

<r²>	26.518
(<r²>)^1/2	5.150

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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