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	hartrees
Energy at 0K	-95.864425
Energy at 298.15K
HF Energy	-95.864425
Nuclear repulsion energy	42.121569

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'	3542	3387	0.17	104.30	0.10	0.18
2	A'	3084	2948	36.89	96.40	0.28	0.43
3	A'	2992	2861	84.26	149.58	0.12	0.21
4	A'	1671	1597	21.75	5.12	0.68	0.81
5	A'	1506	1440	6.65	10.86	0.67	0.80
6	A'	1466	1402	1.30	2.63	0.54	0.70
7	A'	1180	1128	6.93	1.66	0.45	0.62
8	A'	1088	1040	11.44	8.04	0.25	0.40
9	A'	846	809	155.41	2.04	0.58	0.73
10	A"	3623	3463	0.72	53.96	0.75	0.86
11	A"	3121	2984	30.84	65.33	0.75	0.86
12	A"	1524	1457	4.00	10.41	0.75	0.86
13	A"	1355	1295	0.10	1.27	0.75	0.86
14	A"	985	941	0.09	0.06	0.75	0.86
15	A"	300	286	34.59	0.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.702	0.000
N2	0.050	-0.756	0.000
H3	-0.943	1.168	0.000
H4	0.589	1.063	0.876
H5	0.589	1.063	-0.876
H6	-0.442	-1.107	-0.810
H7	-0.442	-1.107	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4577	1.0972	1.0901	1.0901	2.0420	2.0420
N2	1.4577		2.1652	2.0893	2.0893	1.0105	1.0105
H3	1.0972	2.1652		1.7679	1.7679	2.4664	2.4664
H4	1.0901	2.0893	1.7679		1.7529	2.9347	2.4029
H5	1.0901	2.0893	1.7679	1.7529		2.4029	2.9347
H6	2.0420	1.0105	2.4664	2.9347	2.4029		1.6194
H7	2.0420	1.0105	2.4664	2.4029	2.9347	1.6194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.334	C1	N2	H7	110.334
N2	C1	H3	115.154	N2	C1	H4	109.324
N2	C1	H5	109.324	H3	C1	H4	107.851
H3	C1	H5	107.851	H4	C1	H5	107.027
H6	N2	H7	106.507

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

using model chemistry: wB97X-D/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	-0.137
2	N	-0.321
3	H	0.050
4	H	0.078
5	H	0.078
6	H	0.126
7	H	0.126

	x	y	z	Total
	-1.264	0.316	0.000	1.303
CHELPG
AIM
ESP

	x	y	z
x	3.085	0.095	0.000
y	0.095	3.652	0.000
z	0.000	0.000	3.286

<r²>	26.503
(<r²>)^1/2	5.148

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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