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	hartrees
Energy at 0K	-130.745862
Energy at 298.15K	-130.748126
HF Energy	-130.672004
Nuclear repulsion energy	59.457662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3411	3411	63.75
2	A'	3299	3299	0.36
3	A'	2072	2072	50.32
4	A'	1593	1593	0.65
5	A'	1230	1230	3.58
6	A'	968	968	289.17
7	A'	645	645	57.26
8	A'	447	447	9.31
9	A"	3588	3588	1.00
10	A"	1196	1196	8.52
11	A"	1003	1003	1.05
12	A"	336	336	3.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	-1.068	0.000
N2	0.000	0.117	0.000
C3	-0.794	1.095	0.000
H4	0.824	-1.547	0.953
H5	0.824	-1.547	-0.953
H6	-0.313	2.107	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3163	2.5588	1.0958	1.0958	3.2964
N2	1.3163		1.2599	2.0871	2.0871	2.0143
C3	2.5588	1.2599		3.2414	3.2414	1.1202
H4	1.0958	2.0871	3.2414		1.9061	3.9436
H5	1.0958	2.0871	3.2414	1.9061		3.9436
H6	3.2964	2.0143	1.1202	3.9436	3.9436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	166.672	N2	C1	H4	119.552
N2	C1	H5	119.552	N2	C3	H6	115.500
H4	C1	H5	120.857

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/STO-3G

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	-0.083
2	N	-0.161
3	C	-0.015
4	H	0.089
5	H	0.089
6	H	0.081

	x	y	z	Total
	1.251	-0.101	0.000	1.255
CHELPG
AIM
ESP

	x	y	z
x	2.042	-2.138	0.000
y	-2.138	4.705	0.000
z	0.000	0.000	1.306

<r²>	42.743
(<r²>)^1/2	6.538

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)