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	hartrees
Energy at 0K	-186.713260
Energy at 298.15K
HF Energy	-186.713260
Nuclear repulsion energy	91.298425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3118	9.60
2	A'	3117	2985	16.65
3	A'	2263	2167	34.08
4	A'	1712	1640	28.15
5	A'	1543	1478	9.02
6	A'	1228	1176	5.17
7	A'	941	902	4.93
8	A'	567	543	3.17
9	A'	242	232	7.64
10	A"	1108	1061	31.56
11	A"	773	740	0.51
12	A"	338	324	7.05

Atom	x (Å)	y (Å)
C1	0.125	-1.605
N2	-0.538	-0.504
C3	0.000	0.724
N4	0.320	1.859
H5	-0.437	-2.533
H6	1.216	-1.664

	C1	N2	C3	N4	H5	H6
C1		1.2858	2.3320	3.4697	1.0849	1.0918
N2	1.2858		1.3404	2.5141	2.0317	2.1031
C3	2.3320	1.3404		1.1797	3.2858	2.6794
N4	3.4697	2.5141	1.1797		4.4569	3.6355
H5	1.0849	2.0317	3.2858	4.4569		1.8668
H6	1.0918	2.1031	2.6794	3.6355	1.8668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	125.229	N2	C1	H5	117.718
N2	C1	H6	124.188	N2	C3	N4	172.035
H5	C1	H6	118.094

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

using model chemistry: B3PW91/6-31G

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	-0.109
2	N	-0.318
3	C	0.264
4	N	-0.237
5	H	0.207
6	H	0.193

	x	y	z	Total
	0.890	-4.418	0.000	4.507
CHELPG
AIM
ESP

	x	y	z
x	3.235	0.173	0.000
y	0.173	8.587	0.000
z	0.000	0.000	1.855

<r²>	72.849
(<r²>)^1/2	8.535

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

using model chemistry: B3PW91/6-31G

States and conformations

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