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	hartrees
Energy at 0K	-133.959007
Energy at 298.15K	-133.964521
HF Energy	-133.959007
Nuclear repulsion energy	71.920152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3050	26.23
2	A'	3073	2982	23.76
3	A'	2984	2896	76.12
4	A'	2969	2881	49.28
5	A'	1735	1683	16.65
6	A'	1490	1446	18.52
7	A'	1456	1413	5.29
8	A'	1411	1369	0.97
9	A'	1229	1193	18.46
10	A'	1114	1081	0.20
11	A'	970	941	13.11
12	A'	476	462	6.05
13	A"	3094	3002	14.07
14	A"	1448	1405	5.89
15	A"	1130	1097	0.62
16	A"	1061	1030	22.04
17	A"	691	671	0.99
18	A"	217	210	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.079	-0.420	0.000
N2	0.000	0.553	0.000
C3	1.192	0.122	0.000
H4	-0.729	-1.470	0.000
H5	-1.711	-0.249	0.883
H6	-1.711	-0.249	-0.883
H7	1.449	-0.954	0.000
H8	2.022	0.837	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4528	2.3353	1.1064	1.0995	1.0995	2.5842	3.3463
N2	1.4528		1.2679	2.1500	2.0860	2.0860	2.0907	2.0421
C3	2.3353	1.2679		2.4955	3.0576	3.0576	1.1061	1.0954
H4	1.1064	2.1500	2.4955		1.7983	1.7983	2.2391	3.5907
H5	1.0995	2.0860	3.0576	1.7983		1.7665	3.3565	3.9872
H6	1.0995	2.0860	3.0576	1.7983	1.7665		3.3565	3.9872
H7	2.5842	2.0907	1.1061	2.2391	3.3565	3.3565		1.8803
H8	3.3463	2.0421	1.0954	3.5907	3.9872	3.9872	1.8803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.100	N2	C1	H4	113.617
N2	C1	H5	108.838	N2	C1	H6	108.838
N2	C3	H7	123.296	N2	C3	H8	119.380
H4	C1	H5	109.217	H4	C1	H6	109.217
H5	C1	H6	106.894	H7	C3	H8	117.324

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

using model chemistry: B3LYP/aug-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	1.010
2	N	-0.251
3	C	0.768
4	H	-0.266
5	H	-0.275
6	H	-0.275
7	H	-0.315
8	H	-0.396

	x	y	z	Total
	0.390	-1.476	0.000	1.526
CHELPG
AIM
ESP

	x	y	z
x	7.095	0.116	0.000
y	0.116	5.318	0.000
z	0.000	0.000	4.130

<r²>	48.996
(<r²>)^1/2	7.000

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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