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	hartrees
Energy at 0K	-133.080618
Energy at 298.15K	-133.086261
HF Energy	-133.080618
Nuclear repulsion energy	72.588661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3014	32.75
2	A'	3224	2935	42.65
3	A'	3182	2897	52.56
4	A'	3136	2856	58.80
5	A'	1902	1732	31.57
6	A'	1614	1470	27.59
7	A'	1582	1441	0.77
8	A'	1546	1408	4.05
9	A'	1348	1228	21.97
10	A'	1206	1098	0.68
11	A'	1049	955	14.69
12	A'	514	468	6.72
13	A"	3243	2953	27.91
14	A"	1576	1435	5.42
15	A"	1236	1125	1.24
16	A"	1187	1081	23.67
17	A"	740	674	0.80
18	A"	219	199	8.79

Atom	x (Å)	y (Å)	z (Å)
C1	-1.070	-0.427	0.000
N2	0.000	0.546	0.000
C3	1.180	0.135	0.000
H4	-0.715	-1.463	0.000
H5	-1.694	-0.265	0.878
H6	-1.694	-0.265	-0.878
H7	1.447	-0.925	0.000
H8	1.996	0.850	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4461	2.3192	1.0951	1.0897	1.0897	2.5656	3.3215
N2	1.4461		1.2495	2.1321	2.0735	2.0735	2.0631	2.0192
C3	2.3192	1.2495		2.4788	3.0322	3.0322	1.0930	1.0851
H4	1.0951	2.1321	2.4788		1.7794	1.7794	2.2276	3.5637
H5	1.0897	2.0735	3.0322	1.7794		1.7564	3.3279	3.9541
H6	1.0897	2.0735	3.0322	1.7794	1.7564		3.3279	3.9541
H7	2.5656	2.0631	1.0930	2.2276	3.3279	3.3279		1.8583
H8	3.3215	2.0192	1.0851	3.5637	3.9541	3.9541	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.531	N2	C1	H4	113.352
N2	C1	H5	108.897	N2	C1	H6	108.897
N2	C3	H7	123.316	N2	C3	H8	119.569
H4	C1	H5	109.065	H4	C1	H6	109.065
H5	C1	H6	107.394	H7	C3	H8	117.116

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

using model chemistry: HF/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	0.702
2	N	-0.597
3	C	0.609
4	H	-0.122
5	H	-0.108
6	H	-0.108
7	H	-0.162
8	H	-0.215

	x	y	z	Total
	0.581	-1.629	0.000	1.729
CHELPG
AIM
ESP

	x	y	z
x	6.615	0.068	0.000
y	0.068	4.656	0.000
z	0.000	0.000	3.875

<r²>	48.259
(<r²>)^1/2	6.947

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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