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	hartrees
Energy at 0K	-134.006918
Energy at 298.15K	-134.012438
HF Energy	-134.006918
Nuclear repulsion energy	72.323477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3027	26.79
2	A'	3062	2967	22.55
3	A'	2976	2884	84.69
4	A'	2964	2872	42.89
5	A'	1738	1684	18.26
6	A'	1510	1463	22.37
7	A'	1480	1434	1.25
8	A'	1437	1392	1.25
9	A'	1242	1204	18.25
10	A'	1127	1092	0.18
11	A'	963	933	14.01
12	A'	477	462	6.27
13	A"	3080	2985	13.38
14	A"	1477	1431	5.80
15	A"	1145	1110	0.55
16	A"	1067	1033	20.60
17	A"	697	675	0.93
18	A"	216	210	8.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.075	-0.423	0.000
N2	0.000	0.548	0.000
C3	1.187	0.129	0.000
H4	-0.726	-1.464	0.000
H5	-1.703	-0.257	0.876
H6	-1.703	-0.257	-0.876
H7	1.450	-0.936	0.000
H8	2.007	0.843	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4482	2.3280	1.0974	1.0906	1.0906	2.5766	3.3313
N2	1.4482		1.2586	2.1388	2.0768	2.0768	2.0750	2.0283
C3	2.3280	1.2586		2.4898	3.0440	3.0440	1.0974	1.0869
H4	1.0974	2.1388	2.4898		1.7826	1.7826	2.2399	3.5765
H5	1.0906	2.0768	3.0440	1.7826		1.7519	3.3422	3.9667
H6	1.0906	2.0768	3.0440	1.7826	1.7519		3.3422	3.9667
H7	2.5766	2.0750	1.0974	2.2399	3.3422	3.3422		1.8639
H8	3.3313	2.0283	1.0869	3.5765	3.9667	3.9667	1.8639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.479	N2	C1	H4	113.602
N2	C1	H5	108.958	N2	C1	H6	108.958
N2	C3	H7	123.314	N2	C3	H8	119.532
H4	C1	H5	109.118	H4	C1	H6	109.118
H5	C1	H6	106.871	H7	C3	H8	117.154

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.612
2	N	-0.395
3	C	-0.694
4	H	0.258
5	H	0.270
6	H	0.270
7	H	0.397
8	H	0.505

	x	y	z	Total
	0.389	-1.462	0.000	1.513
CHELPG
AIM
ESP

	x	y	z
x	6.994	0.126	0.000
y	0.126	5.286	0.000
z	0.000	0.000	4.123

<r²>	48.605
(<r²>)^1/2	6.972

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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