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	hartrees
Energy at 0K	-133.061490
Energy at 298.15K	-133.067132
HF Energy	-133.061490
Nuclear repulsion energy	72.787677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3350	3010	44.11
2	A'	3256	2925	43.71
3	A'	3228	2901	51.59
4	A'	3172	2850	55.09
5	A'	1937	1741	38.34
6	A'	1660	1491	22.26
7	A'	1629	1463	0.30
8	A'	1596	1434	8.02
9	A'	1372	1233	20.54
10	A'	1233	1108	0.86
11	A'	1057	950	15.99
12	A'	515	462	6.80
13	A"	3277	2944	35.42
14	A"	1630	1464	2.39
15	A"	1261	1133	1.41
16	A"	1196	1075	17.45
17	A"	752	676	0.74
18	A"	222	200	8.89

Atom	x (Å)	y (Å)	z (Å)
C1	-1.068	-0.427	0.000
N2	0.000	0.544	0.000
C3	1.178	0.136	0.000
H4	-0.719	-1.460	0.000
H5	-1.690	-0.267	0.873
H6	-1.690	-0.267	-0.873
H7	1.452	-0.915	0.000
H8	1.988	0.848	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4438	2.3155	1.0895	1.0842	1.0842	2.5670	3.3119
N2	1.4438		1.2465	2.1288	2.0682	2.0682	2.0586	2.0115
C3	2.3155	1.2465		2.4789	3.0251	3.0251	1.0863	1.0789
H4	1.0895	2.1288	2.4789		1.7685	1.7685	2.2387	3.5576
H5	1.0842	2.0682	3.0251	1.7685		1.7467	3.3253	3.9419
H6	1.0842	2.0682	3.0251	1.7685	1.7467		3.3253	3.9419
H7	2.5670	2.0586	1.0863	2.2387	3.3253	3.3253		1.8429
H8	3.3119	2.0115	1.0789	3.5576	3.9419	3.9419	1.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.604	N2	C1	H4	113.620
N2	C1	H5	108.967	N2	C1	H6	108.967
N2	C3	H7	123.738	N2	C3	H8	119.593
H4	C1	H5	108.894	H4	C1	H6	108.894
H5	C1	H6	107.312	H7	C3	H8	116.668

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	-0.309
2	N	-0.390
3	C	-0.123
4	H	0.139
5	H	0.180
6	H	0.180
7	H	0.146
8	H	0.178

	x	y	z	Total
	0.535	-1.652	0.000	1.736
CHELPG
AIM
ESP

	x	y	z
x	5.790	0.001	0.000
y	0.001	3.669	0.000
z	0.000	0.000	2.591

<r²>	47.943
(<r²>)^1/2	6.924

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)