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	hartrees
Energy at 0K	-133.904416
Energy at 298.15K	-133.909888
HF Energy	-133.904416
Nuclear repulsion energy	72.163173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3044	26.95
2	A'	3114	2967	25.40
3	A'	3026	2882	64.73
4	A'	3002	2859	61.89
5	A'	1779	1695	19.21
6	A'	1521	1449	22.00
7	A'	1486	1416	3.81
8	A'	1442	1374	0.11
9	A'	1254	1195	16.53
10	A'	1129	1076	0.22
11	A'	998	951	14.52
12	A'	488	465	4.97
13	A"	3143	2994	14.34
14	A"	1483	1413	7.19
15	A"	1142	1088	0.58
16	A"	1071	1020	25.36
17	A"	699	666	0.74
18	A"	172	164	10.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.071	-0.412	0.000
N2	0.000	0.548	0.000
C3	1.186	0.118	0.000
H4	-0.743	-1.466	0.000
H5	-1.700	-0.241	0.879
H6	-1.700	-0.241	-0.879
H7	1.446	-0.952	0.000
H8	2.011	0.830	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4386	2.3182	1.1041	1.0941	1.0941	2.5742	3.3227
N2	1.4386		1.2614	2.1470	2.0698	2.0698	2.0832	2.0303
C3	2.3182	1.2614		2.4956	3.0374	3.0374	1.1005	1.0899
H4	1.1041	2.1470	2.4956		1.7858	1.7858	2.2483	3.5853
H5	1.0941	2.0698	3.0374	1.7858		1.7584	3.3423	3.9604
H6	1.0941	2.0698	3.0374	1.7858	1.7584		3.3423	3.9604
H7	2.5742	2.0832	1.1005	2.2483	3.3423	3.3423		1.8691
H8	3.3227	2.0303	1.0899	3.5853	3.9604	3.9604	1.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.173	N2	C1	H4	114.573
N2	C1	H5	108.861	N2	C1	H6	108.861
N2	C3	H7	123.625	N2	C3	H8	119.233
H4	C1	H5	108.665	H4	C1	H6	108.665
H5	C1	H6	106.950	H7	C3	H8	117.141

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.410
2	N	-0.137
3	C	-0.183
4	H	0.123
5	H	0.170
6	H	0.170
7	H	0.116
8	H	0.151

	x	y	z	Total
	0.398	-1.674	0.000	1.720
CHELPG
AIM
ESP

	x	y	z
x	6.462	-0.051	0.000
y	-0.051	4.620	0.000
z	0.000	0.000	3.495

<r²>	48.529
(<r²>)^1/2	6.966

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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