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	hartrees
Energy at 0K	-133.790039
Energy at 298.15K	-133.795517
HF Energy	-133.790039
Nuclear repulsion energy	71.823648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3055	3023	39.39
2	A'	3004	2973	26.78
3	A'	2892	2862	119.19
4	A'	2883	2853	35.46
5	A'	1693	1676	15.47
6	A'	1473	1458	23.05
7	A'	1442	1427	2.37
8	A'	1397	1383	1.34
9	A'	1204	1191	17.56
10	A'	1097	1085	0.14
11	A'	954	944	15.58
12	A'	468	463	6.14
13	A"	3026	2995	19.81
14	A"	1442	1427	6.31
15	A"	1112	1100	0.29
16	A"	1005	995	20.62
17	A"	683	676	2.00
18	A"	223	221	8.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.077	-0.416	0.000
N2	0.000	0.558	0.000
C3	1.192	0.115	0.000
H4	-0.737	-1.473	0.000
H5	-1.714	-0.244	0.883
H6	-1.714	-0.244	-0.883
H7	1.452	-0.966	0.000
H8	2.027	0.829	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4519	2.3301	1.1105	1.1020	1.1020	2.5882	3.3447
N2	1.4519		1.2710	2.1605	2.0882	2.0882	2.1044	2.0452
C3	2.3301	1.2710		2.4986	3.0579	3.0579	1.1117	1.0991
H4	1.1105	2.1605	2.4986		1.8009	1.8009	2.2474	3.5976
H5	1.1020	2.0882	3.0579	1.8009		1.7658	3.3650	3.9909
H6	1.1020	2.0882	3.0579	1.8009	1.7658		3.3650	3.9909
H7	2.5882	2.1044	1.1117	2.2474	3.3650	3.3650		1.8848
H8	3.3447	2.0452	1.0991	3.5976	3.9909	3.9909	1.8848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.524	N2	C1	H4	114.284
N2	C1	H5	108.923	N2	C1	H6	108.923
N2	C3	H7	123.921	N2	C3	H8	119.107
H4	C1	H5	108.969	H4	C1	H6	108.969
H5	C1	H6	106.487	H7	C3	H8	116.972

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

using model chemistry: PBEPBE/6-311G*

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	-0.552
2	N	-0.187
3	C	-0.272
4	H	0.181
5	H	0.229
6	H	0.229
7	H	0.166
8	H	0.207

	x	y	z	Total
	0.252	-1.315	0.000	1.339
CHELPG
AIM
ESP

	x	y	z
x	6.531	0.095	0.000
y	0.095	4.512	0.000
z	0.000	0.000	3.082

<r²>	48.872
(<r²>)^1/2	6.991

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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