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	hartrees
Energy at 0K	-95.188767
Energy at 298.15K
HF Energy	-95.188767
Nuclear repulsion energy	42.135534

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'	3805	3425	0.48	98.53	0.14	0.25
2	A'	3255	2929	81.29	88.51	0.29	0.45
3	A'	3158	2842	127.47	145.50	0.10	0.19
4	A'	1835	1651	40.64	6.17	0.73	0.85
5	A'	1651	1486	9.63	20.35	0.75	0.86
6	A'	1608	1447	2.13	5.80	0.75	0.86
7	A'	1252	1127	8.25	6.76	0.62	0.76
8	A'	1156	1040	27.27	15.41	0.33	0.50
9	A'	650	585	376.37	5.63	0.22	0.36
10	A"	3931	3538	5.39	53.13	0.75	0.86
11	A"	3299	2969	67.35	69.07	0.75	0.86
12	A"	1669	1502	4.94	19.39	0.75	0.86
13	A"	1438	1294	0.63	5.70	0.75	0.86
14	A"	1030	927	2.23	0.58	0.75	0.86
15	A"	275	248	46.65	3.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.033	0.715	0.000
N2	0.033	-0.747	0.000
H3	-0.962	1.162	0.000
H4	0.563	1.074	0.873
H5	0.563	1.074	-0.873
H6	-0.294	-1.187	-0.832
H7	-0.294	-1.187	0.832

	C1	N2	H3	H4	H5	H6	H7
C1		1.4614	1.0905	1.0828	1.0828	2.1017	2.1017
N2	1.4614		2.1523	2.0877	2.0877	0.9969	0.9969
H3	1.0905	2.1523		1.7595	1.7595	2.5803	2.5803
H4	1.0828	2.0877	1.7595		1.7452	2.9591	2.4188
H5	1.0828	2.0877	1.7595	1.7452		2.4188	2.9591
H6	2.1017	0.9969	2.5803	2.9591	2.4188		1.6648
H7	2.1017	0.9969	2.5803	2.4188	2.9591	1.6648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.229	C1	N2	H7	116.229
N2	C1	H3	114.218	N2	C1	H4	109.387
N2	C1	H5	109.387	H3	C1	H4	108.113
H3	C1	H5	108.113	H4	C1	H5	107.399
H6	N2	H7	113.239

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

using model chemistry: HF/LANL2DZ

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	-0.399
2	N	-0.734
3	H	0.155
4	H	0.186
5	H	0.186
6	H	0.303
7	H	0.303

	x	y	z	Total
	-1.304	0.269	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	2.091	0.092	0.000
y	0.092	2.781	0.000
z	0.000	0.000	2.698

<r²>	26.681
(<r²>)^1/2	5.165

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

using model chemistry: HF/LANL2DZ

States and conformations

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