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	hartrees
Energy at 0K	-133.112076
Energy at 298.15K	-133.117731
HF Energy	-133.112076
Nuclear repulsion energy	72.917347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	2989	37.43
2	A'	3205	2917	42.92
3	A'	3167	2882	55.84
4	A'	3125	2844	56.26
5	A'	1906	1735	32.01
6	A'	1632	1485	28.33
7	A'	1601	1457	0.00
8	A'	1568	1427	5.67
9	A'	1359	1237	22.74
10	A'	1218	1109	0.54
11	A'	1043	950	15.78
12	A'	514	468	7.30
13	A"	3222	2932	30.44
14	A"	1599	1456	4.32
15	A"	1250	1137	1.04
16	A"	1198	1090	21.02
17	A"	747	680	0.93
18	A"	222	202	8.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.066	-0.430	0.000
N2	0.000	0.542	0.000
C3	1.175	0.141	0.000
H4	-0.712	-1.459	0.000
H5	-1.688	-0.272	0.872
H6	-1.688	-0.272	-0.872
H7	1.448	-0.910	0.000
H8	1.983	0.855	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4426	2.3130	1.0881	1.0829	1.0829	2.5596	3.3092
N2	1.4426		1.2418	2.1238	2.0672	2.0672	2.0506	2.0079
C3	2.3130	1.2418		2.4744	3.0218	3.0218	1.0858	1.0784
H4	1.0881	2.1238	2.4744		1.7671	1.7671	2.2289	3.5526
H5	1.0829	2.0672	3.0218	1.7671		1.7443	3.3173	3.9385
H6	1.0829	2.0672	3.0218	1.7671	1.7443		3.3173	3.9385
H7	2.5596	2.0506	1.0858	2.2289	3.3173	3.3173		1.8445
H8	3.3092	2.0079	1.0784	3.5526	3.9385	3.9385	1.8445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.812	N2	C1	H4	113.371
N2	C1	H5	109.042	N2	C1	H6	109.042
N2	C3	H7	123.382	N2	C3	H8	119.694
H4	C1	H5	108.960	H4	C1	H6	108.960
H5	C1	H6	107.289	H7	C3	H8	116.924

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

using model chemistry: HF/cc-pVTZ

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	-0.116
2	N	-0.211
3	C	-0.118
4	H	0.048
5	H	0.095
6	H	0.095
7	H	0.077
8	H	0.130

	x	y	z	Total
	0.537	-1.566	0.000	1.655
CHELPG
AIM
ESP

	x	y	z
x	6.288	0.078	0.000
y	0.078	4.229	0.000
z	0.000	0.000	3.365

<r²>	47.878
(<r²>)^1/2	6.919

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

using model chemistry: HF/cc-pVTZ

States and conformations

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