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	hartrees
Energy at 0K	-133.873921
Energy at 298.15K	-133.879463
HF Energy	-133.873921
Nuclear repulsion energy	72.326412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3025	34.90
2	A'	3104	2964	25.89
3	A'	3015	2879	59.99
4	A'	2997	2862	47.25
5	A'	1780	1699	19.93
6	A'	1522	1453	19.88
7	A'	1487	1420	2.87
8	A'	1442	1377	1.29
9	A'	1248	1191	15.38
10	A'	1131	1080	0.59
11	A'	996	951	13.10
12	A'	484	463	5.72
13	A"	3129	2987	17.29
14	A"	1485	1417	4.14
15	A"	1143	1091	0.11
16	A"	1062	1014	17.34
17	A"	702	670	1.12
18	A"	230	219	8.54

Atom	x (Å)	y (Å)	z (Å)
C1	-1.070	-0.413	0.000
N2	0.000	0.556	0.000
C3	1.183	0.114	0.000
H4	-0.729	-1.459	0.000
H5	-1.701	-0.247	0.877
H6	-1.701	-0.247	-0.877
H7	1.435	-0.957	0.000
H8	2.016	0.817	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4434	2.3143	1.1005	1.0936	1.0936	2.5639	3.3223
N2	1.4434		1.2632	2.1429	2.0755	2.0755	2.0855	2.0329
C3	2.3143	1.2632		2.4764	3.0367	3.0367	1.1003	1.0900
H4	1.1005	2.1429	2.4764		1.7850	1.7850	2.2221	3.5664
H5	1.0936	2.0755	3.0367	1.7850		1.7547	3.3339	3.9649
H6	1.0936	2.0755	3.0367	1.7850	1.7547		3.3339	3.9649
H7	2.5639	2.0855	1.1003	2.2221	3.3339	3.3339		1.8671
H8	3.3223	2.0329	1.0900	3.5664	3.9649	3.9649	1.8671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.372	N2	C1	H4	114.106
N2	C1	H5	109.004	N2	C1	H6	109.004
N2	C3	H7	123.716	N2	C3	H8	119.329
H4	C1	H5	108.890	H4	C1	H6	108.890
H5	C1	H6	106.687	H7	C3	H8	116.955

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

using model chemistry: B1B95/6-31G**

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	-0.229
2	N	-0.318
3	C	-0.050
4	H	0.098
5	H	0.142
6	H	0.142
7	H	0.091
8	H	0.122

	x	y	z	Total
	0.290	-1.428	0.000	1.458
CHELPG
AIM
ESP

	x	y	z
x	6.037	0.092	0.000
y	0.092	4.008	0.000
z	0.000	0.000	2.727

<r²>	48.048
(<r²>)^1/2	6.932

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

using model chemistry: B1B95/6-31G**

States and conformations

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