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	hartrees
Energy at 0K	-133.946545
Energy at 298.15K	-133.952060
HF Energy	-133.946545
Nuclear repulsion energy	71.895137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3035	32.83
2	A'	3067	2975	26.80
3	A'	2974	2885	72.07
4	A'	2961	2872	40.97
5	A'	1745	1693	17.95
6	A'	1480	1435	17.38
7	A'	1452	1408	5.00
8	A'	1412	1370	2.15
9	A'	1224	1188	20.45
10	A'	1109	1075	0.27
11	A'	976	946	13.91
12	A'	473	459	6.18
13	A"	3087	2994	17.26
14	A"	1447	1404	4.31
15	A"	1130	1096	0.37
16	A"	1048	1016	15.24
17	A"	696	675	1.20
18	A"	223	216	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.075	-0.418	0.000
N2	0.000	0.557	0.000
C3	1.189	0.118	0.000
H4	-0.732	-1.473	0.000
H5	-1.714	-0.249	0.884
H6	-1.714	-0.249	-0.884
H7	1.450	-0.961	0.000
H8	2.025	0.833	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4513	2.3276	1.1101	1.1032	1.1032	2.5836	3.3433
N2	1.4513		1.2676	2.1579	2.0895	2.0895	2.0991	2.0438
C3	2.3276	1.2676		2.4949	3.0568	3.0568	1.1103	1.0994
H4	1.1101	2.1579	2.4949		1.8016	1.8016	2.2416	3.5942
H5	1.1032	2.0895	3.0568	1.8016		1.7674	3.3616	3.9911
H6	1.1032	2.0895	3.0568	1.8016	1.7674		3.3616	3.9911
H7	2.5836	2.0991	1.1103	2.2416	3.3616	3.3616		1.8835
H8	3.3433	2.0438	1.0994	3.5942	3.9911	3.9911	1.8835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.595	N2	C1	H4	114.140
N2	C1	H5	109.004	N2	C1	H6	109.004
N2	C3	H7	123.822	N2	C3	H8	119.238
H4	C1	H5	108.978	H4	C1	H6	108.978
H5	C1	H6	106.458	H7	C3	H8	116.940

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

using model chemistry: B3LYP/cc-pVDZ

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	0.051
2	N	-0.193
3	C	0.043
4	H	0.002
5	H	0.036
6	H	0.036
7	H	0.000
8	H	0.026

	x	y	z	Total
	0.249	-1.249	0.000	1.274
CHELPG
AIM
ESP

	x	y	z
x	6.322	0.153	0.000
y	0.153	4.213	0.000
z	0.000	0.000	2.908

<r²>	48.672
(<r²>)^1/2	6.977

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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