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	hartrees
Energy at 0K	-95.765664
Energy at 298.15K
HF Energy	-95.651319
Nuclear repulsion energy	41.847092

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'	3513	3380	1.12	128.79	0.07	0.13
2	A'	3101	2984	32.32	99.38	0.33	0.50
3	A'	3011	2898	83.69	164.62	0.09	0.16
4	A'	1654	1592	19.07	2.75	0.72	0.84
5	A'	1488	1432	6.24	5.05	0.69	0.82
6	A'	1446	1391	2.20	0.63	0.52	0.69
7	A'	1168	1124	6.08	0.22	0.14	0.25
8	A'	1069	1029	12.47	10.70	0.14	0.24
9	A'	834	803	135.13	1.01	0.39	0.56
10	A"	3598	3463	1.53	49.79	0.75	0.86
11	A"	3139	3021	28.49	57.23	0.75	0.86
12	A"	1507	1450	4.14	6.03	0.75	0.86
13	A"	1344	1293	0.09	0.43	0.75	0.86
14	A"	972	935	0.01	0.13	0.75	0.86
15	A"	307	295	31.72	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.708	0.000
N2	0.050	-0.760	0.000
H3	-0.950	1.175	0.000
H4	0.593	1.066	0.884
H5	0.593	1.066	-0.884
H6	-0.444	-1.117	-0.814
H7	-0.444	-1.117	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4677	1.1040	1.0975	1.0975	2.0580	2.0580
N2	1.4677		2.1785	2.0997	2.0997	1.0167	1.0167
H3	1.1040	2.1785		1.7819	1.7819	2.4844	2.4844
H4	1.0975	2.0997	1.7819		1.7678	2.9532	2.4176
H5	1.0975	2.0997	1.7819	1.7678		2.4176	2.9532
H6	2.0580	1.0167	2.4844	2.9532	2.4176		1.6271
H7	2.0580	1.0167	2.4844	2.4176	2.9532	1.6271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.555	C1	N2	H7	110.555
N2	C1	H3	115.066	N2	C1	H4	109.028
N2	C1	H5	109.028	H3	C1	H4	108.076
H3	C1	H5	108.076	H4	C1	H5	107.296
H6	N2	H7	106.294

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

using model chemistry: B2PLYP=FULLultrafine/aug-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	0.990
2	N	-0.151
3	H	-0.214
4	H	-0.249
5	H	-0.249
6	H	-0.064
7	H	-0.064

	x	y	z	Total
	-1.271	0.396	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	3.726	-0.020	0.000
y	-0.020	4.258	-0.000
z	0.000	-0.000	3.613

<r²>	27.077
(<r²>)^1/2	5.204

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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