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	hartrees
Energy at 0K	-186.885594
Energy at 298.15K
HF Energy	-186.885594
Nuclear repulsion energy	91.785425

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'	3098	3081	5.46	94.48	0.58	0.73
2	A'	2979	2963	21.42	110.01	0.12	0.22
3	A'	2186	2174	22.81	230.68	0.25	0.40
4	A'	1621	1612	17.09	61.77	0.21	0.34
5	A'	1464	1456	11.18	30.99	0.38	0.55
6	A'	1190	1183	10.47	2.98	0.67	0.80
7	A'	926	921	6.20	2.51	0.01	0.03
8	A'	606	602	4.37	5.83	0.19	0.32
9	A'	248	246	5.36	9.57	0.46	0.63
10	A"	1044	1038	19.89	1.12	0.75	0.86
11	A"	752	748	1.38	1.72	0.75	0.86
12	A"	350	348	7.05	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.110	-1.577
N2	-0.581	-0.493
C3	0.000	0.714
N4	0.376	1.823
H5	-0.430	-2.525
H6	1.206	-1.600

	C1	N2	C3	N4	H5	H6
C1		1.2850	2.2939	3.4102	1.0908	1.0964
N2	1.2850		1.3400	2.5060	2.0374	2.1017
C3	2.2939	1.3400		1.1706	3.2678	2.6097
N4	3.4102	2.5060	1.1706		4.4219	3.5220
H5	1.0908	2.0374	3.2678	4.4219		1.8791
H6	1.0964	2.1017	2.6097	3.5220	1.8791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	121.814	N2	C1	H5	117.853
N2	C1	H6	123.708	N2	C3	N4	173.057
H5	C1	H6	118.439

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.096
2	N	-0.577
3	C	0.984
4	N	-0.867
5	H	0.186
6	H	0.178

	x	y	z	Total
	0.453	-4.412	0.000	4.435
CHELPG
AIM
ESP

	x	y	z
x	4.716	0.351	0.000
y	0.351	9.646	0.000
z	0.000	0.000	3.710

<r²>	71.872
(<r²>)^1/2	8.478

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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