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	hartrees
Energy at 0K	-186.655205
Energy at 298.15K
HF Energy	-186.655205
Nuclear repulsion energy	92.330378

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'	3245	3086	7.48	83.84	0.58	0.73
2	A'	3124	2971	15.20	88.01	0.14	0.24
3	A'	2350	2235	31.64	159.33	0.31	0.48
4	A'	1745	1659	35.21	42.93	0.26	0.41
5	A'	1524	1450	10.36	26.31	0.44	0.61
6	A'	1239	1178	8.91	5.09	0.75	0.86
7	A'	983	935	5.67	1.11	0.03	0.07
8	A'	626	596	4.41	2.99	0.33	0.49
9	A'	247	235	5.95	8.93	0.53	0.69
10	A"	1097	1044	20.43	0.10	0.75	0.86
11	A"	783	745	1.42	8.29	0.75	0.86
12	A"	372	354	9.50	0.88	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.092	-1.553
N2	-0.608	-0.487
C3	0.000	0.707
N4	0.422	1.793
H5	-0.435	-2.506
H6	1.185	-1.568

	C1	N2	C3	N4	H5	H6
C1		1.2753	2.2621	3.3626	1.0885	1.0935
N2	1.2753		1.3395	2.5015	2.0264	2.0934
C3	2.2621	1.3395		1.1651	3.2421	2.5650
N4	3.3626	2.5015	1.1651		4.3835	3.4466
H5	1.0885	2.0264	3.2421	4.3835		1.8721
H6	1.0935	2.0934	2.5650	3.4466	1.8721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.774	N2	C1	H5	117.807
N2	C1	H6	124.019	N2	C3	N4	174.250
H5	C1	H6	118.174

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

using model chemistry: HSEh1PBE/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	-0.131
2	N	-0.360
3	C	0.520
4	N	-0.445
5	H	0.212
6	H	0.204

	x	y	z	Total
	0.521	-4.352	0.000	4.383
CHELPG
AIM
ESP

	x	y	z
x	3.445	0.381	0.000
y	0.381	7.999	0.000
z	0.000	0.000	2.040

<r²>	70.218
(<r²>)^1/2	8.380

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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