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	hartrees
Energy at 0K	-186.648200
Energy at 298.15K
HF Energy	-186.648200
Nuclear repulsion energy	92.299463

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'	3238	3093	3.66	88.61	0.61	0.76
2	A'	3110	2971	13.84	94.91	0.14	0.25
3	A'	2341	2236	42.70	222.63	0.27	0.42
4	A'	1736	1659	32.51	65.67	0.20	0.34
5	A'	1509	1442	12.23	24.54	0.44	0.61
6	A'	1230	1175	9.19	4.37	0.74	0.85
7	A'	981	937	6.46	1.68	0.05	0.10
8	A'	626	598	3.07	3.56	0.27	0.42
9	A'	249	238	6.30	10.51	0.56	0.71
10	A"	1102	1052	23.61	0.67	0.75	0.86
11	A"	781	746	1.24	5.91	0.75	0.86
12	A"	372	355	7.89	0.73	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.095	-1.554
N2	-0.607	-0.488
C3	0.000	0.707
N4	0.418	1.795
H5	-0.433	-2.506
H6	1.188	-1.562

	C1	N2	C3	N4	H5	H6
C1		1.2765	2.2631	3.3648	1.0883	1.0936
N2	1.2765		1.3396	2.5018	2.0261	2.0917
C3	2.2631	1.3396		1.1656	3.2421	2.5611
N4	3.3648	2.5018	1.1656		4.3845	3.4443
H5	1.0883	2.0261	3.2421	4.3845		1.8760
H6	1.0936	2.0917	2.5611	3.4443	1.8760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.761	N2	C1	H5	117.694
N2	C1	H6	123.722	N2	C3	N4	174.071
H5	C1	H6	118.584

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

using model chemistry: PBE1PBE/6-31+G**

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	-0.100
2	N	-0.210
3	C	0.360
4	N	-0.411
5	H	0.184
6	H	0.177

	x	y	z	Total
	0.565	-4.560	0.000	4.595
CHELPG
AIM
ESP

	x	y	z
x	4.102	0.438	0.000
y	0.438	8.806	0.000
z	0.000	0.000	2.888

<r²>	70.643
(<r²>)^1/2	8.405

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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