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	hartrees
Energy at 0K	-95.266629
Energy at 298.15K
HF Energy	-95.266629
Nuclear repulsion energy	41.179867

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'	3248	3227	10.31	114.02	0.11	0.21
2	A'	2988	2969	37.72	90.86	0.17	0.29
3	A'	2834	2816	134.56	136.19	0.29	0.45
4	A'	1684	1673	10.44	16.20	0.63	0.77
5	A'	1527	1517	12.84	32.13	0.69	0.81
6	A'	1463	1454	2.45	13.35	0.59	0.74
7	A'	1136	1128	4.58	8.79	0.43	0.60
8	A'	1003	996	5.62	8.91	0.54	0.70
9	A'	703	699	189.31	8.95	0.38	0.55
10	A"	3340	3318	8.45	64.95	0.75	0.86
11	A"	3027	3007	34.88	69.78	0.75	0.86
12	A"	1552	1542	1.61	28.80	0.75	0.86
13	A"	1340	1331	1.20	6.65	0.75	0.86
14	A"	973	966	0.04	1.23	0.75	0.86
15	A"	333	331	52.12	4.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.722	0.000
N2	0.049	-0.775	0.000
H3	-0.947	1.224	0.000
H4	0.599	1.072	0.889
H5	0.599	1.072	-0.889
H6	-0.444	-1.136	-0.837
H7	-0.444	-1.136	0.837

	C1	N2	H3	H4	H5	H6	H7
C1		1.4975	1.1155	1.1024	1.1024	2.0970	2.0970
N2	1.4975		2.2335	2.1225	2.1225	1.0365	1.0365
H3	1.1155	2.2335		1.7905	1.7905	2.5540	2.5540
H4	1.1024	2.1225	1.7905		1.7775	2.9906	2.4428
H5	1.1024	2.1225	1.7905	1.7775		2.4428	2.9906
H6	2.0970	1.0365	2.5540	2.9906	2.4428		1.6746
H7	2.0970	1.0365	2.5540	2.4428	2.9906	1.6746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.372	C1	N2	H7	110.372
N2	C1	H3	116.712	N2	C1	H4	108.499
N2	C1	H5	108.499	H3	C1	H4	107.665
H3	C1	H5	107.665	H4	C1	H5	107.452
H6	N2	H7	107.767

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

using model chemistry: BLYP/3-21G*

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	-0.401
2	N	-0.600
3	H	0.140
4	H	0.187
5	H	0.187
6	H	0.243
7	H	0.243

	x	y	z	Total
	-1.431	0.296	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	2.203	0.146	0.000
y	0.146	3.064	0.000
z	0.000	0.000	2.770

<r²>	27.281
(<r²>)^1/2	5.223

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

using model chemistry: BLYP/3-21G*

States and conformations

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