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	hartrees
Energy at 0K	-133.938513
Energy at 298.15K	-133.944040
HF Energy	-133.938513
Nuclear repulsion energy	72.413514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3010	29.84
2	A'	3074	2956	23.33
3	A'	2983	2869	77.25
4	A'	2973	2858	43.61
5	A'	1751	1684	17.44
6	A'	1501	1443	23.13
7	A'	1470	1414	1.74
8	A'	1426	1371	1.22
9	A'	1236	1188	19.04
10	A'	1120	1077	0.18
11	A'	981	943	13.78
12	A'	473	455	6.32
13	A"	3094	2975	13.88
14	A"	1469	1412	5.36
15	A"	1139	1095	0.30
16	A"	1063	1022	19.52
17	A"	698	672	1.28
18	A"	221	212	7.99

Atom	x (Å)	y (Å)	z (Å)
C1	-1.070	-0.418	0.000
N2	0.000	0.550	0.000
C3	1.183	0.122	0.000
H4	-0.725	-1.461	0.000
H5	-1.701	-0.250	0.876
H6	-1.701	-0.250	-0.876
H7	1.440	-0.947	0.000
H8	2.009	0.832	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4431	2.3174	1.0991	1.0925	1.0925	2.5659	3.3232
N2	1.4431		1.2585	2.1382	2.0741	2.0741	2.0776	2.0286
C3	2.3174	1.2585		2.4797	3.0373	3.0373	1.0993	1.0891
H4	1.0991	2.1382	2.4797		1.7849	1.7849	2.2258	3.5686
H5	1.0925	2.0741	3.0373	1.7849		1.7527	3.3348	3.9626
H6	1.0925	2.0741	3.0373	1.7849	1.7527		3.3348	3.9626
H7	2.5659	2.0776	1.0993	2.2258	3.3348	3.3348		1.8677
H8	3.3232	2.0286	1.0891	3.5686	3.9626	3.9626	1.8677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.977	N2	C1	H4	113.822
N2	C1	H5	108.989	N2	C1	H6	108.989
N2	C3	H7	123.424	N2	C3	H8	119.395
H4	C1	H5	109.063	H4	C1	H6	109.063
H5	C1	H6	106.672	H7	C3	H8	117.181

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.123
2	N	-0.170
3	C	-0.091
4	H	0.042
5	H	0.094
6	H	0.094
7	H	0.048
8	H	0.106

	x	y	z	Total
	0.340	-1.399	0.000	1.440
CHELPG
AIM
ESP

	x	y	z
x	6.599	0.133	0.000
y	0.133	4.661	0.000
z	0.000	0.000	3.500

<r²>	48.189
(<r²>)^1/2	6.942

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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