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	hartrees
Energy at 0K	-133.997326
Energy at 298.15K	-134.002848
HF Energy	-133.997326
Nuclear repulsion energy	72.288685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3023	26.66
2	A'	3064	2964	22.54
3	A'	2977	2880	85.49
4	A'	2966	2869	41.75
5	A'	1737	1680	18.10
6	A'	1508	1459	22.42
7	A'	1479	1431	1.09
8	A'	1434	1388	1.31
9	A'	1239	1199	18.12
10	A'	1125	1088	0.21
11	A'	961	930	13.95
12	A'	476	461	6.23
13	A"	3081	2981	13.39
14	A"	1476	1428	5.79
15	A"	1144	1107	0.58
16	A"	1065	1030	20.77
17	A"	696	674	0.95
18	A"	216	209	8.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.075	-0.423	0.000
N2	0.000	0.548	0.000
C3	1.187	0.129	0.000
H4	-0.726	-1.464	0.000
H5	-1.703	-0.256	0.877
H6	-1.703	-0.256	-0.877
H7	1.450	-0.937	0.000
H8	2.008	0.842	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4491	2.3288	1.0979	1.0912	1.0912	2.5769	3.3324
N2	1.4491		1.2594	2.1398	2.0776	2.0776	2.0760	2.0291
C3	2.3288	1.2594		2.4900	3.0449	3.0449	1.0978	1.0873
H4	1.0979	2.1398	2.4900		1.7837	1.7837	2.2394	3.5771
H5	1.0912	2.0776	3.0449	1.7837		1.7531	3.3428	3.9680
H6	1.0912	2.0776	3.0449	1.7837	1.7531		3.3428	3.9680
H7	2.5769	2.0760	1.0978	2.2394	3.3428	3.3428		1.8648
H8	3.3324	2.0291	1.0873	3.5771	3.9680	3.9680	1.8648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.424	N2	C1	H4	113.593
N2	C1	H5	108.927	N2	C1	H6	108.927
N2	C3	H7	123.313	N2	C3	H8	119.515
H4	C1	H5	109.142	H4	C1	H6	109.142
H5	C1	H6	106.895	H7	C3	H8	117.172

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

using model chemistry: B3LYP/aug-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	-0.545
2	N	-0.306
3	C	-0.679
4	H	0.258
5	H	0.246
6	H	0.246
7	H	0.370
8	H	0.408

	x	y	z	Total
	0.390	-1.463	0.000	1.514
CHELPG
AIM
ESP

	x	y	z
x	7.000	0.127	0.000
y	0.127	5.285	0.000
z	0.000	0.000	4.120

<r²>	48.640
(<r²>)^1/2	6.974

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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