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	hartrees
Energy at 0K	-133.889281
Energy at 298.15K	-133.894806
HF Energy	-133.889281
Nuclear repulsion energy	72.157993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3030	36.45
2	A'	3098	2964	26.88
3	A'	3017	2887	65.06
4	A'	2994	2865	52.13
5	A'	1773	1696	20.24
6	A'	1533	1466	20.28
7	A'	1501	1436	2.26
8	A'	1458	1395	1.75
9	A'	1252	1198	14.71
10	A'	1137	1088	0.58
11	A'	992	949	13.75
12	A'	476	455	5.83
13	A"	3123	2988	18.74
14	A"	1502	1437	4.54
15	A"	1153	1103	0.09
16	A"	1058	1013	19.25
17	A"	701	671	1.23
18	A"	226	216	8.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.074	-0.415	0.000
N2	0.000	0.554	0.000
C3	1.187	0.116	0.000
H4	-0.736	-1.465	0.000
H5	-1.705	-0.245	0.880
H6	-1.705	-0.245	-0.880
H7	1.448	-0.955	0.000
H8	2.018	0.824	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4463	2.3218	1.1033	1.0965	1.0965	2.5787	3.3307
N2	1.4463		1.2653	2.1493	2.0787	2.0787	2.0918	2.0360
C3	2.3218	1.2653		2.4891	3.0443	3.0443	1.1025	1.0923
H4	1.1033	2.1493	2.4891		1.7896	1.7896	2.2423	3.5812
H5	1.0965	2.0787	3.0443	1.7896		1.7603	3.3496	3.9724
H6	1.0965	2.0787	3.0443	1.7896	1.7603		3.3496	3.9724
H7	2.5787	2.0918	1.1025	2.2423	3.3496	3.3496		1.8690
H8	3.3307	2.0360	1.0923	3.5812	3.9724	3.9724	1.8690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.644	N2	C1	H4	114.247
N2	C1	H5	108.894	N2	C1	H6	108.894
N2	C3	H7	123.973	N2	C3	H8	119.264
H4	C1	H5	108.882	H4	C1	H6	108.882
H5	C1	H6	106.780	H7	C3	H8	116.763

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

using model chemistry: B3PW91/6-31G*

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	-0.384
2	N	-0.287
3	C	-0.163
4	H	0.146
5	H	0.189
6	H	0.189
7	H	0.139
8	H	0.172

	x	y	z	Total
	0.311	-1.444	0.000	1.477
CHELPG
AIM
ESP

	x	y	z
x	6.002	0.078	0.000
y	0.078	3.982	0.000
z	0.000	0.000	2.682

<r²>	48.253
(<r²>)^1/2	6.946

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

using model chemistry: B3PW91/6-31G*

States and conformations

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