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	hartrees
Energy at 0K	-95.901572
Energy at 298.15K
HF Energy	-95.901572
Nuclear repulsion energy	41.947219

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'	3476	3355	1.85	133.78	0.08	0.14
2	A'	3057	2950	33.66	111.88	0.25	0.40
3	A'	2965	2861	92.87	172.12	0.13	0.22
4	A'	1665	1607	18.16	2.86	0.70	0.82
5	A'	1507	1455	5.85	5.65	0.67	0.81
6	A'	1459	1408	2.87	0.78	0.36	0.53
7	A'	1171	1130	6.55	0.28	0.12	0.22
8	A'	1048	1011	11.37	9.39	0.14	0.24
9	A'	835	806	134.88	1.39	0.30	0.46
10	A"	3552	3428	0.50	54.36	0.75	0.86
11	A"	3093	2986	31.16	60.27	0.75	0.86
12	A"	1527	1474	3.73	5.99	0.75	0.86
13	A"	1348	1302	0.05	0.40	0.75	0.86
14	A"	965	932	0.00	0.12	0.75	0.86
15	A"	298	288	30.84	0.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.707	0.000
N2	0.050	-0.759	0.000
H3	-0.945	1.173	0.000
H4	0.590	1.062	0.880
H5	0.590	1.062	-0.880
H6	-0.445	-1.112	-0.812
H7	-0.445	-1.112	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4667	1.0990	1.0916	1.0916	2.0534	2.0534
N2	1.4667		2.1734	2.0936	2.0936	1.0146	1.0146
H3	1.0990	2.1734		1.7732	1.7732	2.4761	2.4761
H4	1.0916	2.0936	1.7732		1.7599	2.9432	2.4092
H5	1.0916	2.0936	1.7732	1.7599		2.4092	2.9432
H6	2.0534	1.0146	2.4761	2.9432	2.4092		1.6242
H7	2.0534	1.0146	2.4761	2.4092	2.9432	1.6242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.365	C1	N2	H7	110.365
N2	C1	H3	115.044	N2	C1	H4	108.962
N2	C1	H5	108.962	H3	C1	H4	108.089
H3	C1	H5	108.089	H4	C1	H5	107.438
H6	N2	H7	106.340

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

using model chemistry: TPSSh/aug-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	-0.152
2	N	-0.352
3	H	0.120
4	H	0.135
5	H	0.135
6	H	0.057
7	H	0.057

	x	y	z	Total
	-1.244	0.367	0.000	1.297
CHELPG
AIM
ESP

	x	y	z
x	3.755	-0.025	0.000
y	-0.025	4.340	0.000
z	0.000	0.000	3.642

<r²>	26.841
(<r²>)^1/2	5.181

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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