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	hartrees
Energy at 0K	-133.867634
Energy at 298.15K	-133.873175
HF Energy	-133.867634
Nuclear repulsion energy	72.318791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3016	36.03
2	A'	3109	2951	26.33
3	A'	3026	2872	61.97
4	A'	3004	2852	49.22
5	A'	1784	1693	21.02
6	A'	1536	1458	20.41
7	A'	1501	1425	2.04
8	A'	1459	1385	1.59
9	A'	1255	1191	15.19
10	A'	1140	1082	0.64
11	A'	999	948	13.24
12	A'	485	461	5.75
13	A"	3134	2975	17.93
14	A"	1502	1426	4.25
15	A"	1152	1094	0.13
16	A"	1060	1006	17.94
17	A"	703	667	1.14
18	A"	230	219	8.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.070	-0.413	0.000
N2	0.000	0.555	0.000
C3	1.183	0.114	0.000
H4	-0.728	-1.460	0.000
H5	-1.701	-0.245	0.879
H6	-1.701	-0.245	-0.879
H7	1.436	-0.958	0.000
H8	2.016	0.817	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4434	2.3142	1.1014	1.0945	1.0945	2.5650	3.3227
N2	1.4434		1.2630	2.1430	2.0752	2.0752	2.0863	2.0332
C3	2.3142	1.2630		2.4759	3.0363	3.0363	1.1008	1.0905
H4	1.1014	2.1430	2.4759		1.7869	1.7869	2.2221	3.5663
H5	1.0945	2.0752	3.0363	1.7869		1.7574	3.3348	3.9647
H6	1.0945	2.0752	3.0363	1.7869	1.7574		3.3348	3.9647
H7	2.5650	2.0863	1.1008	2.2221	3.3348	3.3348		1.8674
H8	3.3227	2.0332	1.0905	3.5663	3.9647	3.9647	1.8674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.381	N2	C1	H4	114.055
N2	C1	H5	108.939	N2	C1	H6	108.939
N2	C3	H7	123.768	N2	C3	H8	119.337
H4	C1	H5	108.928	H4	C1	H6	108.928
H5	C1	H6	106.805	H7	C3	H8	116.895

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	-0.361
2	N	-0.288
3	C	-0.149
4	H	0.139
5	H	0.182
6	H	0.182
7	H	0.131
8	H	0.164

	x	y	z	Total
	0.300	-1.428	0.000	1.459
CHELPG
AIM
ESP

	x	y	z
x	5.964	0.080	0.000
y	0.080	3.957	0.000
z	0.000	0.000	2.670

<r²>	48.056
(<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)