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	hartrees
Energy at 0K	-133.014093
Energy at 298.15K	-133.019707
HF Energy	-133.014093
Nuclear repulsion energy	71.959980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3390	3050	44.26
2	A'	3276	2948	50.66
3	A'	3237	2913	62.80
4	A'	3172	2855	77.22
5	A'	1871	1684	21.68
6	A'	1658	1492	34.92
7	A'	1629	1466	0.10
8	A'	1594	1435	2.09
9	A'	1357	1222	9.52
10	A'	1225	1103	2.36
11	A'	1024	922	17.34
12	A'	484	436	8.11
13	A"	3305	2974	39.41
14	A"	1633	1469	8.52
15	A"	1260	1134	0.01
16	A"	1206	1085	38.33
17	A"	745	671	0.51
18	A"	223	201	13.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.095	-0.436	0.000
N2	0.000	0.531	0.000
C3	1.208	0.151	0.000
H4	-0.760	-1.473	0.000
H5	-1.710	-0.263	0.874
H6	-1.710	-0.263	-0.874
H7	1.510	-0.891	0.000
H8	1.992	0.886	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4605	2.3766	1.0892	1.0822	1.0822	2.6439	3.3580
N2	1.4605		1.2661	2.1427	2.0777	2.0777	2.0732	2.0233
C3	2.3766	1.2661		2.5518	3.0738	3.0738	1.0845	1.0745
H4	1.0892	2.1427	2.5518		1.7683	1.7683	2.3436	3.6248
H5	1.0822	2.0777	3.0738	1.7683		1.7472	3.3942	3.9732
H6	1.0822	2.0777	3.0738	1.7683	1.7472		3.3942	3.9732
H7	2.6439	2.0732	1.0845	2.3436	3.3942	3.3942		1.8409
H8	3.3580	2.0233	1.0745	3.6248	3.9732	3.9732	1.8409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	121.126	N2	C1	H4	113.559
N2	C1	H5	108.682	N2	C1	H6	108.682
N2	C3	H7	123.584	N2	C3	H8	119.406
H4	C1	H5	109.045	H4	C1	H6	109.045
H5	C1	H6	107.666	H7	C3	H8	117.010

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

using model chemistry: HF/LANL2DZ

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	-0.469
2	N	-0.139
3	C	-0.305
4	H	0.152
5	H	0.207
6	H	0.207
7	H	0.152
8	H	0.194

	x	y	z	Total
	0.419	-2.059	0.000	2.101
CHELPG
AIM
ESP

	x	y	z
x	5.908	-0.078	0.000
y	-0.078	3.411	0.000
z	0.000	0.000	2.522

<r²>	49.278
(<r²>)^1/2	7.020

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

using model chemistry: HF/LANL2DZ

States and conformations

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