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	hartrees
Energy at 0K	-133.899718
Energy at 298.15K	-133.905240
HF Energy	-133.899718
Nuclear repulsion energy	72.273095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3021	30.77
2	A'	3082	2963	24.55
3	A'	2997	2881	59.23
4	A'	2980	2865	46.16
5	A'	1762	1694	18.35
6	A'	1504	1446	18.96
7	A'	1472	1416	3.00
8	A'	1429	1373	1.91
9	A'	1238	1190	17.29
10	A'	1121	1078	0.31
11	A'	987	949	12.89
12	A'	471	453	6.09
13	A"	3105	2985	15.08
14	A"	1471	1414	4.10
15	A"	1143	1099	0.20
16	A"	1060	1019	16.41
17	A"	700	673	1.17
18	A"	224	215	7.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.071	-0.415	0.000
N2	0.000	0.553	0.000
C3	1.184	0.118	0.000
H4	-0.729	-1.463	0.000
H5	-1.704	-0.248	0.879
H6	-1.704	-0.248	-0.879
H7	1.443	-0.953	0.000
H8	2.015	0.826	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4443	2.3179	1.1022	1.0959	1.0959	2.5714	3.3270
N2	1.4443		1.2620	2.1444	2.0784	2.0784	2.0861	2.0338
C3	2.3179	1.2620		2.4824	3.0417	3.0417	1.1016	1.0917
H4	1.1022	2.1444	2.4824		1.7885	1.7885	2.2317	3.5740
H5	1.0959	2.0784	3.0417	1.7885		1.7576	3.3431	3.9703
H6	1.0959	2.0784	3.0417	1.7885	1.7576		3.3431	3.9703
H7	2.5714	2.0861	1.1016	2.2317	3.3431	3.3431		1.8685
H8	3.3270	2.0338	1.0917	3.5740	3.9703	3.9703	1.8685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.691	N2	C1	H4	114.048
N2	C1	H5	109.041	N2	C1	H6	109.041
N2	C3	H7	123.775	N2	C3	H8	119.383
H4	C1	H5	108.913	H4	C1	H6	108.913
H5	C1	H6	106.623	H7	C3	H8	116.842

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.360
2	N	-0.105
3	C	-0.224
4	H	0.118
5	H	0.157
6	H	0.157
7	H	0.114
8	H	0.143

	x	y	z	Total
	0.322	-1.345	0.000	1.383
CHELPG
AIM
ESP

	x	y	z
x	6.137	0.153	0.000
y	0.153	4.143	0.000
z	0.000	0.000	3.011

<r²>	48.088
(<r²>)^1/2	6.935

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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