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	hartrees
Energy at 0K	-186.911403
Energy at 298.15K
HF Energy	-186.911403
Nuclear repulsion energy	92.431877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3180	3075	7.19	90.03	0.59	0.74
2	A'	3060	2958	18.74	97.41	0.15	0.27
3	A'	2308	2232	29.79	176.25	0.30	0.46
4	A'	1698	1641	29.60	50.75	0.25	0.39
5	A'	1503	1453	13.40	26.87	0.45	0.62
6	A'	1224	1184	10.15	3.52	0.75	0.86
7	A'	958	926	6.23	0.99	0.05	0.09
8	A'	632	611	4.74	3.16	0.28	0.44
9	A'	255	246	5.67	9.41	0.54	0.70
10	A"	1093	1057	19.21	0.35	0.75	0.86
11	A"	780	754	1.85	5.32	0.75	0.86
12	A"	378	365	8.61	0.59	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.090	-1.557
N2	-0.601	-0.485
C3	0.000	0.712
N4	0.418	1.793
H5	-0.442	-2.504
H6	1.183	-1.576

	C1	N2	C3	N4	H5	H6
C1		1.2753	2.2701	3.3652	1.0870	1.0923
N2	1.2753		1.3391	2.4951	2.0255	2.0908
C3	2.2701	1.3391		1.1588	3.2462	2.5753
N4	3.3652	2.4951	1.1588		4.3821	3.4544
H5	1.0870	2.0255	3.2462	4.3821		1.8710
H6	1.0923	2.0908	2.5753	3.4544	1.8710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.501	N2	C1	H5	117.842
N2	C1	H6	123.851	N2	C3	N4	174.459
H5	C1	H6	118.308

All results from a given calculation for H₂CNCN (cyanamide, methylene)

using model chemistry: B3LYP/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	-0.014
2	N	-0.227
3	C	0.217
4	N	-0.251
5	H	0.145
6	H	0.130

	x	y	z	Total
	0.480	-4.382	0.000	4.408
CHELPG
AIM
ESP

	x	y	z
x	3.658	0.321	0.000
y	0.321	8.250	0.000
z	0.000	0.000	2.393

<r²>	70.469
(<r²>)^1/2	8.395

All results from a given calculation for H2CNCN (cyanamide, methylene)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for H₂CNCN (cyanamide, methylene)