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	hartrees
Energy at 0K	-133.896205
Energy at 298.15K	-133.901721
HF Energy	-133.896205
Nuclear repulsion energy	72.046965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3036	29.82
2	A'	3088	2980	24.34
3	A'	2989	2884	65.44
4	A'	2976	2872	45.17
5	A'	1758	1697	17.15
6	A'	1477	1425	19.04
7	A'	1449	1398	4.85
8	A'	1408	1358	1.15
9	A'	1222	1179	20.80
10	A'	1106	1068	0.24
11	A'	993	958	14.19
12	A'	468	452	5.97
13	A"	3110	3001	13.85
14	A"	1445	1395	5.08
15	A"	1128	1088	0.20
16	A"	1048	1011	17.26
17	A"	696	672	1.43
18	A"	225	217	7.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.072	-0.413	0.000
N2	0.000	0.556	0.000
C3	1.187	0.113	0.000
H4	-0.732	-1.469	0.000
H5	-1.711	-0.242	0.883
H6	-1.711	-0.242	-0.883
H7	1.443	-0.967	0.000
H8	2.024	0.825	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4452	2.3194	1.1093	1.1025	1.1025	2.5752	3.3347
N2	1.4452		1.2665	2.1531	2.0838	2.0838	2.0976	2.0419
C3	2.3194	1.2665		2.4868	3.0494	3.0494	1.1099	1.0992
H4	1.1093	2.1531	2.4868		1.8002	1.8002	2.2320	3.5859
H5	1.1025	2.0838	3.0494	1.8002		1.7652	3.3536	3.9832
H6	1.1025	2.0838	3.0494	1.8002	1.7652		3.3536	3.9832
H7	2.5752	2.0976	1.1099	2.2320	3.3536	3.3536		1.8839
H8	3.3347	2.0419	1.0992	3.5859	3.9832	3.9832	1.8839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.438	N2	C1	H4	114.243
N2	C1	H5	109.012	N2	C1	H6	109.012
N2	C3	H7	123.800	N2	C3	H8	119.172
H4	C1	H5	108.957	H4	C1	H6	108.957
H5	C1	H6	106.366	H7	C3	H8	117.029

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

using model chemistry: B3PW91/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	-0.003
2	N	-0.219
3	C	0.012
4	H	0.021
5	H	0.058
6	H	0.058
7	H	0.022
8	H	0.050

	x	y	z	Total
	0.259	-1.298	0.000	1.323
CHELPG
AIM
ESP

	x	y	z
x	6.274	0.134	0.000
y	0.134	4.187	0.000
z	0.000	0.000	2.899

<r²>	48.369
(<r²>)^1/2	6.955

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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