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	hartrees
Energy at 0K	-133.148728
Energy at 298.15K	-133.154257
HF Energy	-133.148728
Nuclear repulsion energy	71.471287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3032	37.18
2	A'	3100	2980	18.12
3	A'	2997	2881	61.32
4	A'	2988	2872	35.31
5	A'	1711	1645	16.11
6	A'	1558	1497	27.35
7	A'	1524	1465	1.19
8	A'	1462	1406	4.30
9	A'	1238	1190	5.29
10	A'	1136	1092	1.83
11	A'	910	875	11.23
12	A'	466	448	7.62
13	A"	3127	3006	13.85
14	A"	1541	1481	6.86
15	A"	1150	1105	0.64
16	A"	1081	1039	31.23
17	A"	707	679	1.72
18	A"	233	224	10.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.090	-0.437	0.000
N2	0.000	0.559	0.000
C3	1.200	0.133	0.000
H4	-0.740	-1.483	0.000
H5	-1.713	-0.264	0.884
H6	-1.713	-0.264	-0.884
H7	1.482	-0.931	0.000
H8	2.022	0.848	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4769	2.3601	1.1031	1.0954	1.0954	2.6188	3.3670
N2	1.4769		1.2737	2.1724	2.0959	2.0959	2.1016	2.0425
C3	2.3601	1.2737		2.5249	3.0699	3.0699	1.1005	1.0895
H4	1.1031	2.1724	2.5249		1.7934	1.7934	2.2891	3.6142
H5	1.0954	2.0959	3.0699	1.7934		1.7687	3.3812	3.9957
H6	1.0954	2.0959	3.0699	1.7934	1.7687		3.3812	3.9957
H7	2.6188	2.1016	1.1005	2.2891	3.3812	3.3812		1.8594
H8	3.3670	2.0425	1.0895	3.6142	3.9957	3.9957	1.8594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.005	N2	C1	H4	113.921
N2	C1	H5	108.216	N2	C1	H6	108.216
N2	C3	H7	124.385	N2	C3	H8	119.401
H4	C1	H5	109.316	H4	C1	H6	109.316
H5	C1	H6	107.670	H7	C3	H8	116.214

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

using model chemistry: B3PW91/3-21G

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	-0.492
2	N	-0.411
3	C	-0.162
4	H	0.188
5	H	0.241
6	H	0.241
7	H	0.175
8	H	0.219

	x	y	z	Total
	0.179	-1.587	0.000	1.597
CHELPG
AIM
ESP

	x	y	z
x	5.723	0.128	0.000
y	0.128	3.630	0.000
z	0.000	0.000	2.363

<r²>	49.128
(<r²>)^1/2	7.009

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

using model chemistry: B3PW91/3-21G

States and conformations

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