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	hartrees
Energy at 0K	-132.664103
Energy at 298.15K	-132.666637
HF Energy	-132.664103
Nuclear repulsion energy	61.271239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3027	1.78
2	A'	3114	2979	6.32
3	A'	2033	1945	248.34
4	A'	1500	1435	3.51
5	A'	1248	1194	9.09
6	A'	901	862	368.01
7	A'	734	703	86.29
8	A'	495	474	31.14
9	A"	3273	3132	1.62
10	A"	1143	1094	5.76
11	A"	971	929	10.89
12	A"	354	339	4.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.234	1.292	0.000
H4	0.126	-1.701	0.942
H5	0.126	-1.701	-0.942
H6	0.616	1.979	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2727	2.4834	1.0818	1.0818	3.1928
N2	1.2727		1.2153	2.0355	2.0355	1.9779
C3	2.4834	1.2153		3.1579	3.1579	1.0929
H4	1.0818	2.0355	3.1579		1.8844	3.8297
H5	1.0818	2.0355	3.1579	1.8844		3.8297
H6	3.1928	1.9779	1.0929	3.8297	3.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.928	N2	C1	H4	119.431
N2	C1	H5	119.431	N2	C3	H6	117.836
H4	C1	H5	121.137

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: mPW1PW91/6-311G**

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	-0.191
2	N	-0.132
3	C	-0.114
4	H	0.145
5	H	0.145
6	H	0.147

	x	y	z	Total
	1.433	-1.002	0.000	1.749
CHELPG
AIM
ESP

	x	y	z
x	2.794	-0.698	0.000
y	-0.698	9.048	0.000
z	0.000	0.000	2.815

<r²>	41.741
(<r²>)^1/2	6.461

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)