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	hartrees
Energy at 0K	-133.896334
Energy at 298.15K	-133.901875
HF Energy	-133.896334
Nuclear repulsion energy	72.451897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3017	39.51
2	A'	3093	2965	29.80
3	A'	2992	2869	97.33
4	A'	2982	2859	38.75
5	A'	1770	1697	20.19
6	A'	1523	1460	24.06
7	A'	1490	1428	1.41
8	A'	1447	1387	1.08
9	A'	1250	1198	18.88
10	A'	1134	1087	0.22
11	A'	993	952	14.79
12	A'	486	466	6.04
13	A"	3116	2987	21.60
14	A"	1489	1428	6.03
15	A"	1149	1101	0.40
16	A"	1054	1011	20.32
17	A"	703	674	1.54
18	A"	225	215	8.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.069	-0.416	0.000
N2	0.000	0.553	0.000
C3	1.181	0.118	0.000
H4	-0.723	-1.460	0.000
H5	-1.698	-0.250	0.876
H6	-1.698	-0.250	-0.876
H7	1.436	-0.952	0.000
H8	2.010	0.825	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4425	2.3121	1.0995	1.0919	1.0919	2.5616	3.3193
N2	1.4425		1.2583	2.1387	2.0730	2.0730	2.0802	2.0283
C3	2.3121	1.2583		2.4731	3.0322	3.0322	1.1003	1.0894
H4	1.0995	2.1387	2.4731		1.7840	1.7840	2.2185	3.5624
H5	1.0919	2.0730	3.0322	1.7840		1.7528	3.3298	3.9593
H6	1.0919	2.0730	3.0322	1.7840	1.7528		3.3298	3.9593
H7	2.5616	2.0802	1.1003	2.2185	3.3298	3.3298		1.8671
H8	3.3193	2.0283	1.0894	3.5624	3.9593	3.9593	1.8671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.598	N2	C1	H4	113.890
N2	C1	H5	108.979	N2	C1	H6	108.979
N2	C3	H7	123.628	N2	C3	H8	119.357
H4	C1	H5	108.997	H4	C1	H6	108.997
H5	C1	H6	106.759	H7	C3	H8	117.015

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

using model chemistry: B1B95/6-311G*

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	-0.548
2	N	-0.213
3	C	-0.268
4	H	0.184
5	H	0.231
6	H	0.231
7	H	0.174
8	H	0.211

	x	y	z	Total
	0.312	-1.408	0.000	1.442
CHELPG
AIM
ESP

	x	y	z
x	6.239	0.062	0.000
y	0.062	4.255	0.000
z	0.000	0.000	2.996

<r²>	48.119
(<r²>)^1/2	6.937

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

using model chemistry: B1B95/6-311G*

States and conformations

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