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	hartrees
Energy at 0K	-133.859144
Energy at 298.15K	-133.864681
HF Energy	-133.859144
Nuclear repulsion energy	71.724833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3051	34.46
2	A'	3132	2965	22.94
3	A'	3047	2885	57.33
4	A'	3013	2852	56.97
5	A'	1756	1662	17.71
6	A'	1557	1473	26.38
7	A'	1529	1447	3.24
8	A'	1485	1406	1.76
9	A'	1260	1193	7.14
10	A'	1150	1089	1.70
11	A'	970	918	12.90
12	A'	462	437	6.64
13	A"	3163	2994	15.39
14	A"	1529	1447	7.77
15	A"	1172	1109	0.24
16	A"	1094	1035	30.47
17	A"	710	672	1.28
18	A"	228	216	11.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.090	-0.423	0.000
N2	0.000	0.545	0.000
C3	1.205	0.129	0.000
H4	-0.759	-1.473	0.000
H5	-1.715	-0.248	0.879
H6	-1.715	-0.248	-0.879
H7	1.487	-0.932	0.000
H8	2.015	0.852	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4580	2.3608	1.1010	1.0929	1.0929	2.6270	3.3573
N2	1.4580		1.2744	2.1559	2.0839	2.0839	2.0956	2.0385
C3	2.3608	1.2744		2.5348	3.0726	3.0726	1.0982	1.0860
H4	1.1010	2.1559	2.5348		1.7859	1.7859	2.3103	3.6200
H5	1.0929	2.0839	3.0726	1.7859		1.7589	3.3903	3.9872
H6	1.0929	2.0839	3.0726	1.7859	1.7589		3.3903	3.9872
H7	2.6270	2.0956	1.0982	2.3103	3.3903	3.3903		1.8609
H8	3.3573	2.0385	1.0860	3.6200	3.9872	3.9872	1.8609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.384	N2	C1	H4	114.086
N2	C1	H5	108.709	N2	C1	H6	108.709
N2	C3	H7	123.903	N2	C3	H8	119.241
H4	C1	H5	108.979	H4	C1	H6	108.979
H5	C1	H6	107.157	H7	C3	H8	116.856

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

using model chemistry: mPW1PW91/6-31G

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	-0.380
2	N	-0.306
3	C	-0.161
4	H	0.143
5	H	0.196
6	H	0.196
7	H	0.136
8	H	0.175

	x	y	z	Total
	0.254	-1.709	0.000	1.728
CHELPG
AIM
ESP

	x	y	z
x	6.002	0.043	0.000
y	0.043	3.899	0.000
z	0.000	0.000	2.541

<r²>	49.030
(<r²>)^1/2	7.002

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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