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	hartrees
Energy at 0K	-132.221890
Energy at 298.15K	-132.227210
HF Energy	-132.221890
Nuclear repulsion energy	70.383914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3481	3080	4.81
2	A'	3465	3066	3.36
3	A'	3307	2927	1.69
4	A'	3288	2910	3.28
5	A'	1784	1579	7.85
6	A'	1659	1468	12.15
7	A'	1569	1388	1.88
8	A'	1553	1375	3.77
9	A'	1281	1134	2.26
10	A'	1153	1021	2.09
11	A'	989	876	2.67
12	A'	501	444	2.95
13	A"	3474	3074	0.01
14	A"	1652	1462	4.43
15	A"	1185	1049	0.16
16	A"	1045	925	18.21
17	A"	741	656	0.00
18	A"	178	157	5.49

Atom	x (Å)	y (Å)	z (Å)
C1	-1.093	-0.442	0.000
N2	0.000	0.611	0.000
C3	1.203	0.101	0.000
H4	-0.718	-1.482	0.000
H5	-1.723	-0.281	0.892
H6	-1.723	-0.281	-0.892
H7	1.448	-0.979	0.000
H8	2.061	0.795	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.5177	2.3591	1.1055	1.1042	1.1042	2.5972	3.3877
N2	1.5177		1.3059	2.2122	2.1358	2.1358	2.1504	2.0689
C3	2.3591	1.3059		2.4887	3.0828	3.0828	1.1081	1.1032
H4	1.1055	2.2122	2.4887		1.8027	1.8027	2.2231	3.5919
H5	1.1042	2.1358	3.0828	1.8027		1.7844	3.3676	4.0340
H6	1.1042	2.1358	3.0828	1.8027	1.7844		3.3676	4.0340
H7	2.5972	2.1504	1.1081	2.2231	3.3676	3.3676		1.8767
H8	3.3877	2.0689	1.1032	3.5919	4.0340	4.0340	1.8767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	113.124	N2	C1	H4	114.062
N2	C1	H5	108.054	N2	C1	H6	108.054
N2	C3	H7	125.749	N2	C3	H8	118.112
H4	C1	H5	109.338	H4	C1	H6	109.338
H5	C1	H6	107.807	H7	C3	H8	116.139

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

using model chemistry: B3PW91/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	-0.169
2	N	-0.199
3	C	-0.064
4	H	0.078
5	H	0.096
6	H	0.096
7	H	0.074
8	H	0.089

	x	y	z	Total
	0.191	-1.560	0.000	1.572
CHELPG
AIM
ESP

	x	y	z
x	3.649	0.109	0.000
y	0.109	1.902	0.000
z	0.000	0.000	1.247

<r²>	49.055
(<r²>)^1/2	7.004

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

using model chemistry: B3PW91/STO-3G

States and conformations

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