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	hartrees
Energy at 0K	-133.892840
Energy at 298.15K	-133.898323
HF Energy	-133.892840
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3031	35.47
2	A'	3119	2958	28.00
3	A'	3038	2881	57.27
4	A'	3011	2856	52.70
5	A'	1793	1700	21.42
6	A'	1543	1463	21.19
7	A'	1509	1431	2.44
8	A'	1465	1389	1.26
9	A'	1265	1200	16.30
10	A'	1143	1084	0.48
11	A'	1003	952	13.40
12	A'	489	464	5.75
13	A"	3147	2985	19.71
14	A"	1510	1432	4.73
15	A"	1155	1096	0.22
16	A"	1071	1016	19.80
17	A"	705	669	0.91
18	A"	184	175	8.83

Atom	x (Å)	y (Å)	z (Å)
C1	-1.068	-0.412	0.000
N2	0.000	0.550	0.000
C3	1.182	0.116	0.000
H4	-0.743	-1.467	0.000
H5	-1.698	-0.242	0.880
H6	-1.698	-0.242	-0.880
H7	1.444	-0.953	0.000
H8	2.010	0.826	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4378	2.3119	1.1045	1.0948	1.0948	2.5707	3.3183
N2	1.4378		1.2597	2.1501	2.0695	2.0695	2.0851	2.0292
C3	2.3119	1.2597		2.4928	3.0325	3.0325	1.1008	1.0907
H4	1.1045	2.1501	2.4928		1.7853	1.7853	2.2472	3.5833
H5	1.0948	2.0695	3.0325	1.7853		1.7593	3.3396	3.9576
H6	1.0948	2.0695	3.0325	1.7853	1.7593		3.3396	3.9576
H7	2.5707	2.0851	1.1008	2.2472	3.3396	3.3396		1.8669
H8	3.3183	2.0292	1.0907	3.5833	3.9576	3.9576	1.8669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.824	N2	C1	H4	114.870
N2	C1	H5	108.845	N2	C1	H6	108.845
N2	C3	H7	123.948	N2	C3	H8	119.221
H4	C1	H5	108.533	H4	C1	H6	108.533
H5	C1	H6	106.930	H7	C3	H8	116.831

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

using model chemistry: wB97X-D/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	-0.371
2	N	-0.292
3	C	-0.163
4	H	0.142
5	H	0.186
6	H	0.186
7	H	0.138
8	H	0.173

	x	y	z	Total
	0.350	-1.494	0.000	1.534
CHELPG
AIM
ESP

	x	y	z
x	5.927	0.050	0.000
y	0.050	3.942	0.000
z	0.000	0.000	2.681

<r²>	48.191
(<r²>)^1/2	6.942

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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