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	hartrees
Energy at 0K	-133.997740
Energy at 298.15K	-134.003258
HF Energy	-133.997740
Nuclear repulsion energy	72.200839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	3022	33.53
2	A'	3061	2964	27.31
3	A'	2973	2879	82.28
4	A'	2961	2867	46.39
5	A'	1726	1671	16.77
6	A'	1513	1465	21.54
7	A'	1483	1436	0.84
8	A'	1434	1389	3.22
9	A'	1239	1199	18.25
10	A'	1120	1085	0.29
11	A'	958	928	13.51
12	A'	463	449	5.64
13	A"	3080	2983	18.16
14	A"	1486	1439	4.15
15	A"	1143	1107	0.95
16	A"	1061	1027	19.19
17	A"	696	673	1.10
18	A"	223	216	7.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.071	-0.414	0.000
N2	0.000	0.547	0.000
C3	1.186	0.119	0.000
H4	-0.747	-1.468	0.000
H5	-1.700	-0.241	0.878
H6	-1.700	-0.241	-0.878
H7	1.454	-0.947	0.000
H8	2.008	0.835	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4388	2.3191	1.1028	1.0937	1.0937	2.5814	3.3224
N2	1.4388		1.2603	2.1483	2.0694	2.0694	2.0847	2.0281
C3	2.3191	1.2603		2.5005	3.0380	3.0380	1.0996	1.0897
H4	1.1028	2.1483	2.5005		1.7846	1.7846	2.2618	3.5898
H5	1.0937	2.0694	3.0380	1.7846		1.7558	3.3498	3.9594
H6	1.0937	2.0694	3.0380	1.7846	1.7558		3.3498	3.9594
H7	2.5814	2.0847	1.0996	2.2618	3.3498	3.3498		1.8655
H8	3.3224	2.0281	1.0897	3.5898	3.9594	3.9594	1.8655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.307	N2	C1	H4	114.750
N2	C1	H5	108.837	N2	C1	H6	108.837
N2	C3	H7	123.966	N2	C3	H8	119.145
H4	C1	H5	108.673	H4	C1	H6	108.673
H5	C1	H6	106.780	H7	C3	H8	116.888

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.091
2	N	-0.179
3	C	-0.061
4	H	0.032
5	H	0.084
6	H	0.084
7	H	0.035
8	H	0.096

	x	y	z	Total
	0.338	-1.387	0.000	1.428
CHELPG
AIM
ESP

	x	y	z
x	6.655	0.146	0.000
y	0.146	4.708	0.000
z	0.000	0.000	3.510

<r²>	48.383
(<r²>)^1/2	6.956

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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