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	hartrees
Energy at 0K	-133.766704
Energy at 298.15K	-133.772180
HF Energy	-133.766704
Nuclear repulsion energy	71.684896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3034	34.53
2	A'	3017	2976	23.35
3	A'	2913	2873	81.75
4	A'	2904	2864	40.10
5	A'	1702	1679	15.17
6	A'	1472	1452	17.34
7	A'	1441	1421	4.58
8	A'	1393	1374	1.37
9	A'	1202	1185	13.28
10	A'	1093	1078	0.45
11	A'	957	944	13.53
12	A'	462	455	5.69
13	A"	3041	3000	15.98
14	A"	1439	1419	4.21
15	A"	1106	1091	0.05
16	A"	1014	1000	17.53
17	A"	683	673	1.40
18	A"	228	225	8.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.079	-0.413	0.000
N2	0.000	0.561	0.000
C3	1.194	0.110	0.000
H4	-0.744	-1.473	0.000
H5	-1.717	-0.241	0.884
H6	-1.717	-0.241	-0.884
H7	1.452	-0.971	0.000
H8	2.034	0.821	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4535	2.3323	1.1115	1.1038	1.1038	2.5920	3.3485
N2	1.4535		1.2761	2.1659	2.0909	2.0909	2.1110	2.0505
C3	2.3323	1.2761		2.5029	3.0623	3.0623	1.1118	1.1001
H4	1.1115	2.1659	2.5029		1.8016	1.8016	2.2533	3.6028
H5	1.1038	2.0909	3.0623	1.8016		1.7682	3.3703	3.9972
H6	1.1038	2.0909	3.0623	1.8016	1.7682		3.3703	3.9972
H7	2.5920	2.1110	1.1118	2.2533	3.3703	3.3703		1.8837
H8	3.3485	2.0505	1.1001	3.6028	3.9972	3.9972	1.8837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.247	N2	C1	H4	114.563
N2	C1	H5	108.929	N2	C1	H6	108.929
N2	C3	H7	124.115	N2	C3	H8	119.114
H4	C1	H5	108.834	H4	C1	H6	108.834
H5	C1	H6	106.445	H7	C3	H8	116.772

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

using model chemistry: PBEPBE/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	-0.246
2	N	-0.286
3	C	-0.061
4	H	0.100
5	H	0.143
6	H	0.143
7	H	0.088
8	H	0.119

	x	y	z	Total
	0.224	-1.341	0.000	1.360
CHELPG
AIM
ESP

	x	y	z
x	6.265	0.131	0.000
y	0.131	4.183	0.000
z	0.000	0.000	2.783

<r²>	48.759
(<r²>)^1/2	6.983

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

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

States and conformations

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