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	hartrees
Energy at 0K	-95.864292
Energy at 298.15K
HF Energy	-95.864292
Nuclear repulsion energy	41.891390

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'	3470	3327	3.19	113.58	0.11	0.20
2	A'	3077	2950	45.77	95.25	0.26	0.41
3	A'	2967	2844	107.87	135.29	0.19	0.31
4	A'	1683	1613	18.74	11.52	0.67	0.80
5	A'	1525	1462	7.59	23.87	0.70	0.82
6	A'	1478	1417	4.37	8.37	0.61	0.76
7	A'	1189	1140	8.03	5.46	0.46	0.63
8	A'	1063	1019	6.23	8.94	0.35	0.52
9	A'	868	833	163.54	5.66	0.60	0.75
10	A"	3554	3407	1.22	67.88	0.75	0.86
11	A"	3119	2990	39.54	74.55	0.75	0.86
12	A"	1545	1481	1.42	22.36	0.75	0.86
13	A"	1364	1307	0.11	4.47	0.75	0.86
14	A"	977	937	0.00	0.57	0.75	0.86
15	A"	333	319	43.16	2.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.705	0.000
N2	0.052	-0.762	0.000
H3	-0.941	1.185	0.000
H4	0.595	1.060	0.881
H5	0.595	1.060	-0.881
H6	-0.465	-1.098	-0.811
H7	-0.465	-1.098	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4668	1.1035	1.0944	1.0944	2.0435	2.0435
N2	1.4668		2.1858	2.0956	2.0956	1.0189	1.0189
H3	1.1035	2.1858		1.7755	1.7755	2.4692	2.4692
H4	1.0944	2.0956	1.7755		1.7629	2.9404	2.4054
H5	1.0944	2.0956	1.7755	1.7629		2.4054	2.9404
H6	2.0435	1.0189	2.4692	2.9404	2.4054		1.6222
H7	2.0435	1.0189	2.4692	2.4054	2.9404	1.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.259	C1	N2	H7	109.259
N2	C1	H3	115.791	N2	C1	H4	108.948
N2	C1	H5	108.948	H3	C1	H4	107.768
H3	C1	H5	107.768	H4	C1	H5	107.302
H6	N2	H7	105.504

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

using model chemistry: TPSSh/6-31G**

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	-0.227
2	N	-0.627
3	H	0.096
4	H	0.130
5	H	0.130
6	H	0.249
7	H	0.249

	x	y	z	Total
	-1.407	0.360	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	2.571	0.154	0.000
y	0.154	3.213	0.000
z	0.000	0.000	2.965

<r²>	26.597
(<r²>)^1/2	5.157

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

using model chemistry: TPSSh/6-31G**

States and conformations

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