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	hartrees
Energy at 0K	-133.069530
Energy at 298.15K	-133.075177
HF Energy	-133.069530
Nuclear repulsion energy	72.767771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	2998	43.15
2	A'	3234	2919	44.61
3	A'	3199	2887	48.62
4	A'	3148	2842	54.99
5	A'	1935	1746	36.52
6	A'	1646	1485	23.68
7	A'	1614	1457	0.52
8	A'	1581	1427	6.91
9	A'	1366	1233	20.63
10	A'	1225	1106	0.82
11	A'	1054	952	15.82
12	A'	514	464	6.80
13	A"	3255	2938	35.17
14	A"	1612	1455	2.68
15	A"	1253	1131	1.13
16	A"	1196	1080	17.76
17	A"	751	678	0.75
18	A"	224	202	8.97

Atom	x (Å)	y (Å)	z (Å)
C1	-1.068	-0.428	0.000
N2	0.000	0.544	0.000
C3	1.178	0.136	0.000
H4	-0.719	-1.460	0.000
H5	-1.691	-0.268	0.873
H6	-1.691	-0.268	-0.873
H7	1.452	-0.916	0.000
H8	1.989	0.850	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4440	2.3158	1.0900	1.0847	1.0847	2.5666	3.3130
N2	1.4440		1.2466	2.1296	2.0692	2.0692	2.0590	2.0122
C3	2.3158	1.2466		2.4798	3.0261	3.0261	1.0874	1.0799
H4	1.0900	2.1296	2.4798		1.7691	1.7691	2.2383	3.5595
H5	1.0847	2.0692	3.0261	1.7691		1.7469	3.3257	3.9437
H6	1.0847	2.0692	3.0261	1.7691	1.7469		3.3257	3.9437
H7	2.5666	2.0590	1.0874	2.2383	3.3257	3.3257		1.8455
H8	3.3130	2.0122	1.0799	3.5595	3.9437	3.9437	1.8455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.607	N2	C1	H4	113.642
N2	C1	H5	108.997	N2	C1	H6	108.997
N2	C3	H7	123.674	N2	C3	H8	119.570
H4	C1	H5	108.876	H4	C1	H6	108.876
H5	C1	H6	107.260	H7	C3	H8	116.755

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)

using model chemistry: HF/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	-0.155
2	N	-0.417
3	C	-0.008
4	H	0.090
5	H	0.132
6	H	0.132
7	H	0.097
8	H	0.128

	x	y	z	Total
	0.521	-1.652	0.000	1.732
CHELPG
AIM
ESP

	x	y	z
x	5.874	0.015	0.000
y	0.015	3.729	0.000
z	0.000	0.000	2.655

<r²>	47.950
(<r²>)^1/2	6.925

All results from a given calculation for CH2NCH3 (N-methylmethanimine)

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

States and conformations

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)