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	hartrees
Energy at 0K	-133.161364
Energy at 298.15K	-133.166899
HF Energy	-133.161364
Nuclear repulsion energy	71.604770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3018	35.37
2	A'	3120	2963	17.35
3	A'	3021	2868	52.47
4	A'	3009	2857	38.31
5	A'	1728	1641	16.37
6	A'	1566	1488	28.04
7	A'	1533	1456	1.11
8	A'	1472	1398	4.13
9	A'	1247	1184	5.37
10	A'	1144	1086	1.83
11	A'	922	876	11.28
12	A'	469	445	7.67
13	A"	3147	2989	12.86
14	A"	1549	1471	7.11
15	A"	1157	1099	0.70
16	A"	1091	1036	31.66
17	A"	711	675	1.69
18	A"	233	221	10.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.088	-0.436	0.000
N2	0.000	0.558	0.000
C3	1.198	0.133	0.000
H4	-0.738	-1.480	0.000
H5	-1.710	-0.263	0.883
H6	-1.710	-0.263	-0.883
H7	1.478	-0.929	0.000
H8	2.018	0.847	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4737	2.3563	1.1013	1.0937	1.0937	2.6133	3.3613
N2	1.4737		1.2713	2.1674	2.0921	2.0921	2.0966	2.0391
C3	2.3563	1.2713		2.5201	3.0650	3.0650	1.0984	1.0876
H4	1.1013	2.1674	2.5201		1.7906	1.7906	2.2835	3.6075
H5	1.0937	2.0921	3.0650	1.7906		1.7661	3.3745	3.9891
H6	1.0937	2.0921	3.0650	1.7906	1.7661		3.3745	3.9891
H7	2.6133	2.0966	1.0984	2.2835	3.3745	3.3745		1.8568
H8	3.3613	2.0391	1.0876	3.6075	3.9891	3.9891	1.8568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.079	N2	C1	H4	113.853
N2	C1	H5	108.237	N2	C1	H6	108.237
N2	C3	H7	124.278	N2	C3	H8	119.433
H4	C1	H5	109.325	H4	C1	H6	109.325
H5	C1	H6	107.683	H7	C3	H8	116.289

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

using model chemistry: mPW1PW91/3-21G*

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	-0.498
2	N	-0.420
3	C	-0.164
4	H	0.191
5	H	0.244
6	H	0.244
7	H	0.179
8	H	0.222

	x	y	z	Total
	0.192	-1.612	0.000	1.623
CHELPG
AIM
ESP

	x	y	z
x	5.681	0.118	0.000
y	0.118	3.591	0.000
z	0.000	0.000	2.348

<r²>	48.988
(<r²>)^1/2	6.999

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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