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	hartrees
Energy at 0K	-95.793211
Energy at 298.15K
HF Energy	-95.793211
Nuclear repulsion energy	42.119329

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'	3523	3345	1.12	103.75	0.12	0.21
2	A'	3113	2955	40.80	87.28	0.28	0.44
3	A'	3005	2852	97.02	124.37	0.17	0.30
4	A'	1710	1623	24.27	10.58	0.68	0.81
5	A'	1531	1453	8.46	23.74	0.70	0.83
6	A'	1486	1411	2.57	8.84	0.66	0.79
7	A'	1196	1135	7.77	4.85	0.50	0.67
8	A'	1102	1046	10.35	8.27	0.33	0.49
9	A'	878	833	175.34	5.42	0.62	0.77
10	A"	3612	3429	0.01	63.93	0.75	0.86
11	A"	3156	2996	32.84	70.94	0.75	0.86
12	A"	1550	1471	2.38	22.85	0.75	0.86
13	A"	1373	1303	0.15	4.03	0.75	0.86
14	A"	989	939	0.03	0.56	0.75	0.86
15	A"	335	318	46.92	2.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.698	0.000
N2	0.051	-0.755	0.000
H3	-0.940	1.179	0.000
H4	0.593	1.057	0.878
H5	0.593	1.057	-0.878
H6	-0.454	-1.099	-0.810
H7	-0.454	-1.099	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4538	1.1015	1.0927	1.0927	2.0348	2.0348
N2	1.4538		2.1735	2.0860	2.0860	1.0143	1.0143
H3	1.1015	2.1735		1.7710	1.7710	2.4657	2.4657
H4	1.0927	2.0860	1.7710		1.7566	2.9317	2.3979
H5	1.0927	2.0860	1.7710	1.7566		2.3979	2.9317
H6	2.0348	1.0143	2.4657	2.9317	2.3979		1.6197
H7	2.0348	1.0143	2.4657	2.3979	2.9317	1.6197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.782	C1	N2	H7	109.782
N2	C1	H3	115.864	N2	C1	H4	109.180
N2	C1	H5	109.180	H3	C1	H4	107.637
H3	C1	H5	107.637	H4	C1	H5	106.986
H6	N2	H7	105.957

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

using model chemistry: B1B95/6-31G*

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	-0.354
2	N	-0.737
3	H	0.135
4	H	0.169
5	H	0.169
6	H	0.309
7	H	0.309

	x	y	z	Total
	-1.442	0.335	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	2.464	0.143	0.000
y	0.143	3.073	0.000
z	0.000	0.000	2.852

<r²>	26.377
(<r²>)^1/2	5.136

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

using model chemistry: B1B95/6-31G*

States and conformations

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