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	hartrees
Energy at 0K	-133.766283
Energy at 298.15K	-133.771744
HF Energy	-133.766283
Nuclear repulsion energy	71.578494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3060	3043	30.95
2	A'	3007	2989	21.76
3	A'	2891	2875	93.23
4	A'	2885	2868	29.66
5	A'	1692	1682	13.68
6	A'	1427	1419	16.14
7	A'	1399	1391	6.78
8	A'	1356	1348	0.94
9	A'	1177	1170	19.94
10	A'	1070	1064	0.15
11	A'	961	956	14.60
12	A'	456	453	5.92
13	A"	3029	3012	12.53
14	A"	1395	1387	4.62
15	A"	1089	1083	0.21
16	A"	1001	995	15.68
17	A"	679	675	1.64
18	A"	226	224	7.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.078	-0.411	0.000
N2	0.000	0.562	0.000
C3	1.194	0.108	0.000
H4	-0.740	-1.478	0.000
H5	-1.722	-0.237	0.888
H6	-1.722	-0.237	-0.888
H7	1.448	-0.982	0.000
H8	2.039	0.823	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4518	2.3299	1.1187	1.1107	1.1107	2.5896	3.3524
N2	1.4518		1.2768	2.1694	2.0952	2.0952	2.1169	2.0560
C3	2.3299	1.2768		2.5007	3.0671	3.0671	1.1199	1.1072
H4	1.1187	2.1694	2.5007		1.8146	1.8146	2.2435	3.6079
H5	1.1107	2.0952	3.0671	1.8146		1.7753	3.3755	4.0072
H6	1.1107	2.0952	3.0671	1.8146	1.7753		3.3755	4.0072
H7	2.5896	2.1169	1.1199	2.2435	3.3755	3.3755		1.8994
H8	3.3524	2.0560	1.1072	3.6079	4.0072	4.0072	1.8994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.122	N2	C1	H4	114.504
N2	C1	H5	108.975	N2	C1	H6	108.975
N2	C3	H7	123.945	N2	C3	H8	119.004
H4	C1	H5	108.975	H4	C1	H6	108.975
H5	C1	H6	106.105	H7	C3	H8	117.051

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.003
2	N	-0.179
3	C	0.018
4	H	0.013
5	H	0.050
6	H	0.050
7	H	0.009
8	H	0.037

	x	y	z	Total
	0.179	-1.171	0.000	1.185
CHELPG
AIM
ESP

	x	y	z
x	6.531	0.175	0.000
y	0.175	4.404	0.000
z	0.000	0.000	2.965

<r²>	48.925
(<r²>)^1/2	6.995

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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