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	hartrees
Energy at 0K	-32.178104
Energy at 298.15K
HF Energy	-32.178104
Nuclear repulsion energy	45.922559

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'	3240	3137	18.97	93.74	0.59	0.74
2	A'	3097	2999	35.41	102.74	0.20	0.33
3	A'	2183	2114	32.47	218.84	0.27	0.42
4	A'	1649	1597	19.57	48.90	0.20	0.34
5	A'	1510	1462	13.77	41.37	0.46	0.63
6	A'	1209	1171	4.58	6.01	0.75	0.86
7	A'	896	867	5.29	2.90	0.05	0.10
8	A'	578	560	2.31	4.40	0.46	0.63
9	A'	244	236	8.67	10.64	0.53	0.69
10	A"	1108	1073	45.52	1.92	0.75	0.86
11	A"	765	741	0.01	5.41	0.75	0.86
12	A"	350	339	6.21	0.36	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.126	-1.614
N2	-0.574	-0.511
C3	0.000	0.727
N4	0.351	1.872
H5	-0.424	-2.561
H6	1.227	-1.646

	C1	N2	C3	N4	H5	H6
C1		1.3061	2.3452	3.4940	1.0942	1.1014
N2	1.3061		1.3652	2.5569	2.0549	2.1280
C3	2.3452	1.3652		1.1976	3.3153	2.6714
N4	3.4940	2.5569	1.1976		4.5002	3.6252
H5	1.0942	2.0549	3.3153	4.5002		1.8869
H6	1.1014	2.1280	2.6714	3.6252	1.8869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	122.765	N2	C1	H5	117.487
N2	C1	H6	124.012	N2	C3	N4	172.210
H5	C1	H6	118.501

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

using model chemistry: B3LYP/CEP-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	-0.385
2	N	0.297
3	C	-0.682
4	N	0.320
5	H	0.248
6	H	0.202

	x	y	z	Total
	0.993	-4.647	0.000	4.752
CHELPG
AIM
ESP

	x	y	z
x	3.330	0.193	0.000
y	0.193	8.785	0.000
z	0.000	0.000	2.293

<r²>	59.465
(<r²>)^1/2	7.711

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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