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	hartrees
Energy at 0K	-95.762837
Energy at 298.15K
HF Energy	-95.762837
Nuclear repulsion energy	41.795685

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'	3407	3383	1.78	122.05	0.10	0.18
2	A'	2989	2968	34.76	110.21	0.22	0.37
3	A'	2886	2866	99.73	165.57	0.17	0.28
4	A'	1612	1601	17.69	6.36	0.64	0.78
5	A'	1444	1434	6.82	13.63	0.62	0.76
6	A'	1404	1394	1.50	4.05	0.47	0.64
7	A'	1137	1130	5.55	2.14	0.40	0.57
8	A'	1038	1031	7.06	7.49	0.26	0.41
9	A'	823	817	148.10	2.57	0.71	0.83
10	A"	3484	3460	0.00	61.74	0.75	0.86
11	A"	3027	3006	30.01	69.67	0.75	0.86
12	A"	1467	1456	3.52	11.71	0.75	0.86
13	A"	1309	1300	0.21	1.10	0.75	0.86
14	A"	947	941	0.17	0.10	0.75	0.86
15	A"	298	296	33.37	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.705	0.000
N2	0.052	-0.763	0.000
H3	-0.945	1.189	0.000
H4	0.597	1.067	0.883
H5	0.597	1.067	-0.883
H6	-0.461	-1.107	-0.814
H7	-0.461	-1.107	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4671	1.1079	1.0993	1.0993	2.0508	2.0508
N2	1.4671		2.1911	2.1036	2.1036	1.0212	1.0212
H3	1.1079	2.1911		1.7812	1.7812	2.4833	2.4833
H4	1.0993	2.1036	1.7812		1.7653	2.9535	2.4188
H5	1.0993	2.1036	1.7812	1.7653		2.4188	2.9535
H6	2.0508	1.0212	2.4833	2.9535	2.4188		1.6274
H7	2.0508	1.0212	2.4833	2.4188	2.9535	1.6274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.701	C1	N2	H7	109.701
N2	C1	H3	115.917	N2	C1	H4	109.262
N2	C1	H5	109.262	H3	C1	H4	107.601
H3	C1	H5	107.601	H4	C1	H5	106.817
H6	N2	H7	105.643

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	-0.199
2	N	-0.303
3	H	0.059
4	H	0.095
5	H	0.095
6	H	0.127
7	H	0.127

	x	y	z	Total
	-1.228	0.270	0.000	1.258
CHELPG
AIM
ESP

	x	y	z
x	3.238	0.096	0.000
y	0.096	3.891	0.000
z	0.000	0.000	3.426

<r²>	26.907
(<r²>)^1/2	5.187

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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