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	hartrees
Energy at 0K	-133.774039
Energy at 298.15K	-133.779504
HF Energy	-133.774039
Nuclear repulsion energy	71.639015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3050	26.93
2	A'	3017	2983	21.15
3	A'	2911	2878	95.25
4	A'	2901	2868	50.47
5	A'	1691	1671	13.81
6	A'	1462	1445	20.91
7	A'	1431	1415	4.11
8	A'	1386	1370	0.43
9	A'	1195	1181	14.78
10	A'	1089	1076	0.16
11	A'	953	942	15.13
12	A'	464	458	5.33
13	A"	3041	3007	11.12
14	A"	1428	1412	7.24
15	A"	1102	1090	0.33
16	A"	1011	999	25.39
17	A"	677	670	1.53
18	A"	222	220	9.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.081	-0.414	0.000
N2	0.000	0.558	0.000
C3	1.197	0.112	0.000
H4	-0.741	-1.473	0.000
H5	-1.718	-0.240	0.885
H6	-1.718	-0.240	-0.885
H7	1.450	-0.971	0.000
H8	2.034	0.825	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4544	2.3384	1.1117	1.1037	1.1037	2.5915	3.3526
N2	1.4544		1.2775	2.1620	2.0907	2.0907	2.1070	2.0512
C3	2.3384	1.2775		2.5036	3.0665	3.0665	1.1119	1.0992
H4	1.1117	2.1620	2.5036		1.8045	1.8045	2.2476	3.6027
H5	1.1037	2.0907	3.0665	1.8045		1.7691	3.3690	3.9990
H6	1.1037	2.0907	3.0665	1.8045	1.7691		3.3690	3.9990
H7	2.5915	2.1070	1.1119	2.2476	3.3690	3.3690		1.8882
H8	3.3526	2.0512	1.0992	3.6027	3.9990	3.9990	1.8882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.588	N2	C1	H4	114.151
N2	C1	H5	108.856	N2	C1	H6	108.856
N2	C3	H7	123.577	N2	C3	H8	119.133
H4	C1	H5	109.082	H4	C1	H6	109.082
H5	C1	H6	106.541	H7	C3	H8	117.290

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

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

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	-0.471
2	N	-0.078
3	C	-0.224
4	H	0.137
5	H	0.180
6	H	0.180
7	H	0.122
8	H	0.154

	x	y	z	Total
	0.287	-1.529	0.000	1.556
CHELPG
AIM
ESP

	x	y	z
x	6.894	0.022	0.000
y	0.022	5.034	0.000
z	0.000	0.000	3.650

<r²>	49.236
(<r²>)^1/2	7.017

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

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

States and conformations

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