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	hartrees
Energy at 0K	-133.938508
Energy at 298.15K	-133.944047
HF Energy	-133.938508
Nuclear repulsion energy	72.413917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3016	31.82
2	A'	3097	2963	25.24
3	A'	3001	2871	76.56
4	A'	2990	2860	43.73
5	A'	1771	1694	18.31
6	A'	1511	1446	22.94
7	A'	1481	1417	2.64
8	A'	1436	1374	0.82
9	A'	1244	1190	18.50
10	A'	1126	1078	0.21
11	A'	995	952	14.84
12	A'	478	457	5.91
13	A"	3119	2984	17.84
14	A"	1478	1414	6.22
15	A"	1145	1096	0.29
16	A"	1071	1025	20.19
17	A"	705	675	1.43
18	A"	222	212	8.53

Atom	x (Å)	y (Å)	z (Å)
C1	-1.069	-0.417	0.000
N2	0.000	0.552	0.000
C3	1.182	0.119	0.000
H4	-0.724	-1.461	0.000
H5	-1.700	-0.249	0.877
H6	-1.700	-0.249	-0.877
H7	1.439	-0.950	0.000
H8	2.009	0.828	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4433	2.3144	1.1000	1.0928	1.0928	2.5644	3.3211
N2	1.4433		1.2587	2.1396	2.0737	2.0737	2.0804	2.0283
C3	2.3144	1.2587		2.4759	3.0345	3.0345	1.1001	1.0894
H4	1.1000	2.1396	2.4759		1.7860	1.7860	2.2221	3.5652
H5	1.0928	2.0737	3.0345	1.7860		1.7539	3.3331	3.9606
H6	1.0928	2.0737	3.0345	1.7860	1.7539		3.3331	3.9606
H7	2.5644	2.0804	1.1001	2.2221	3.3331	3.3331		1.8676
H8	3.3211	2.0283	1.0894	3.5652	3.9606	3.9606	1.8676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.698	N2	C1	H4	113.868
N2	C1	H5	108.918	N2	C1	H6	108.918
N2	C3	H7	123.619	N2	C3	H8	119.311
H4	C1	H5	109.078	H4	C1	H6	109.078
H5	C1	H6	106.741	H7	C3	H8	117.070

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

using model chemistry: mPW1PW91/6-311G**

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	-0.221
2	N	-0.266
3	C	-0.081
4	H	0.089
5	H	0.134
6	H	0.134
7	H	0.087
8	H	0.123

	x	y	z	Total
	0.329	-1.443	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	6.296	0.069	0.000
y	0.069	4.275	0.000
z	0.000	0.000	3.073

<r²>	48.118
(<r²>)^1/2	6.937

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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