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	hartrees
Energy at 0K	-132.255370
Energy at 298.15K	-132.260674
HF Energy	-132.255370
Nuclear repulsion energy	70.161410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3457	3085	5.35
2	A'	3441	3070	3.79
3	A'	3285	2932	1.33
4	A'	3267	2916	3.70
5	A'	1766	1576	7.87
6	A'	1657	1479	11.07
7	A'	1561	1393	1.46
8	A'	1550	1383	5.11
9	A'	1276	1139	2.49
10	A'	1148	1025	2.15
11	A'	969	865	2.47
12	A'	501	447	2.86
13	A"	3450	3079	0.13
14	A"	1650	1472	3.91
15	A"	1179	1052	0.09
16	A"	1037	926	17.76
17	A"	737	657	0.00
18	A"	175	156	5.24

Atom	x (Å)	y (Å)	z (Å)
C1	-1.097	-0.448	0.000
N2	0.000	0.613	0.000
C3	1.206	0.105	0.000
H4	-0.717	-1.487	0.000
H5	-1.727	-0.288	0.894
H6	-1.727	-0.288	-0.894
H7	1.453	-0.976	0.000
H8	2.064	0.801	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.5267	2.3694	1.1067	1.1053	1.1053	2.6050	3.3992
N2	1.5267		1.3091	2.2194	2.1436	2.1436	2.1538	2.0727
C3	2.3694	1.3091		2.4968	3.0922	3.0922	1.1091	1.1042
H4	1.1067	2.2194	2.4968		1.8053	1.8053	2.2296	3.6010
H5	1.1053	2.1436	3.0922	1.8053		1.7877	3.3751	4.0448
H6	1.1053	2.1436	3.0922	1.8053	1.7877		3.3751	4.0448
H7	2.6050	2.1538	1.1091	2.2296	3.3751	3.3751		1.8787
H8	3.3992	2.0727	1.1042	3.6010	4.0448	4.0448	1.8787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	113.119	N2	C1	H4	113.920
N2	C1	H5	107.996	N2	C1	H6	107.996
N2	C3	H7	125.709	N2	C3	H8	118.127
H4	C1	H5	109.406	H4	C1	H6	109.406
H5	C1	H6	107.944	H7	C3	H8	116.164

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

using model chemistry: B3LYP/STO-3G

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	-0.156
2	N	-0.200
3	C	-0.055
4	H	0.074
5	H	0.092
6	H	0.092
7	H	0.070
8	H	0.085

	x	y	z	Total
	0.189	-1.553	0.000	1.564
CHELPG
AIM
ESP

	x	y	z
x	3.718	0.125	0.000
y	0.125	1.931	0.000
z	0.000	0.000	1.264

<r²>	49.344
(<r²>)^1/2	7.025

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

using model chemistry: B3LYP/STO-3G

States and conformations

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