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	hartrees
Energy at 0K	-95.778786
Energy at 298.15K
HF Energy	-95.778786
Nuclear repulsion energy	42.137161

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'	3541	3405	0.70	125.92	0.07	0.14
2	A'	3079	2961	29.87	105.79	0.28	0.44
3	A'	2989	2874	85.30	171.48	0.10	0.19
4	A'	1659	1596	21.49	2.63	0.69	0.82
5	A'	1492	1435	6.92	5.29	0.66	0.80
6	A'	1450	1395	1.44	0.83	0.39	0.56
7	A'	1168	1123	5.59	0.33	0.09	0.17
8	A'	1087	1045	13.87	7.54	0.14	0.24
9	A'	824	792	144.37	1.46	0.24	0.39
10	A"	3621	3482	3.17	49.15	0.75	0.86
11	A"	3118	2998	25.45	57.71	0.75	0.86
12	A"	1512	1453	5.08	5.73	0.75	0.86
13	A"	1345	1293	0.14	0.28	0.75	0.86
14	A"	971	934	0.12	0.11	0.75	0.86
15	A"	296	285	32.01	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.701	0.000
N2	0.049	-0.753	0.000
H3	-0.945	1.169	0.000
H4	0.589	1.062	0.877
H5	0.589	1.062	-0.877
H6	-0.435	-1.113	-0.811
H7	-0.435	-1.113	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4543	1.0985	1.0915	1.0915	2.0453	2.0453
N2	1.4543		2.1642	2.0874	2.0874	1.0110	1.0110
H3	1.0985	2.1642		1.7697	1.7697	2.4751	2.4751
H4	1.0915	2.0874	1.7697		1.7547	2.9379	2.4049
H5	1.0915	2.0874	1.7697	1.7547		2.4049	2.9379
H6	2.0453	1.0110	2.4751	2.9379	2.4049		1.6230
H7	2.0453	1.0110	2.4751	2.4049	2.9379	1.6230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.833	C1	N2	H7	110.833
N2	C1	H3	115.229	N2	C1	H4	109.329
N2	C1	H5	109.329	H3	C1	H4	107.824
H3	C1	H5	107.824	H4	C1	H5	106.989
H6	N2	H7	106.763

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

using model chemistry: PBE1PBE/aug-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	-0.585
2	N	-0.362
3	H	0.240
4	H	0.265
5	H	0.265
6	H	0.089
7	H	0.089

	x	y	z	Total
	-1.243	0.328	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	3.691	-0.022	0.000
y	-0.022	4.244	0.000
z	0.000	0.000	3.590

<r²>	26.661
(<r²>)^1/2	5.163

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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