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	hartrees
Energy at 0K	-133.931400
Energy at 298.15K	-133.936939
HF Energy	-133.931400
Nuclear repulsion energy	72.426045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3014	38.09
2	A'	3101	2960	29.77
3	A'	3007	2870	87.01
4	A'	2994	2857	46.54
5	A'	1777	1696	20.14
6	A'	1529	1459	24.46
7	A'	1497	1429	1.45
8	A'	1454	1388	1.02
9	A'	1256	1199	18.42
10	A'	1139	1087	0.23
11	A'	999	953	15.17
12	A'	482	460	6.08
13	A"	3124	2982	21.62
14	A"	1497	1428	6.51
15	A"	1157	1104	0.36
16	A"	1063	1014	21.00
17	A"	705	673	1.54
18	A"	221	211	8.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.070	-0.417	0.000
N2	0.000	0.551	0.000
C3	1.182	0.120	0.000
H4	-0.727	-1.462	0.000
H5	-1.699	-0.249	0.877
H6	-1.699	-0.249	-0.877
H7	1.442	-0.949	0.000
H8	2.009	0.830	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4425	2.3145	1.0998	1.0925	1.0925	2.5676	3.3210
N2	1.4425		1.2583	2.1402	2.0730	2.0730	2.0813	2.0279
C3	2.3145	1.2583		2.4789	3.0343	3.0343	1.1003	1.0897
H4	1.0998	2.1402	2.4789		1.7845	1.7845	2.2289	3.5685
H5	1.0925	2.0730	3.0343	1.7845		1.7537	3.3360	3.9602
H6	1.0925	2.0730	3.0343	1.7845	1.7537		3.3360	3.9602
H7	2.5676	2.0813	1.1003	2.2289	3.3360	3.3360		1.8669
H8	3.3210	2.0279	1.0897	3.5685	3.9602	3.9602	1.8669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.798	N2	C1	H4	113.995
N2	C1	H5	108.945	N2	C1	H6	108.945
N2	C3	H7	123.740	N2	C3	H8	119.296
H4	C1	H5	108.975	H4	C1	H6	108.975
H5	C1	H6	106.759	H7	C3	H8	116.964

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

using model chemistry: mPW1PW91/6-311G*

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	-0.228
3	C	-0.269
4	H	0.188
5	H	0.234
6	H	0.234
7	H	0.179
8	H	0.215

	x	y	z	Total
	0.338	-1.442	0.000	1.481
CHELPG
AIM
ESP

	x	y	z
x	6.210	0.053	0.000
y	0.053	4.211	0.000
z	0.000	0.000	2.987

<r²>	48.147
(<r²>)^1/2	6.939

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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