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	hartrees
Energy at 0K	-186.908373
Energy at 298.15K
HF Energy	-186.908373
Nuclear repulsion energy	92.435757

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'	3190	3082	10.50	89.20	0.59	0.74
2	A'	3068	2965	23.22	93.67	0.16	0.28
3	A'	2309	2231	30.54	175.05	0.30	0.46
4	A'	1704	1646	31.24	48.41	0.24	0.39
5	A'	1511	1460	13.48	28.44	0.45	0.62
6	A'	1235	1194	10.15	3.69	0.75	0.86
7	A'	959	926	6.35	1.00	0.04	0.08
8	A'	633	612	4.77	3.14	0.28	0.44
9	A'	255	247	5.69	9.38	0.54	0.70
10	A"	1085	1049	19.97	0.34	0.75	0.86
11	A"	779	753	1.90	5.70	0.75	0.86
12	A"	378	366	8.53	0.63	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.090	-1.556
N2	-0.601	-0.485
C3	0.000	0.712
N4	0.418	1.792
H5	-0.442	-2.505
H6	1.182	-1.578

	C1	N2	C3	N4	H5	H6
C1		1.2749	2.2699	3.3649	1.0873	1.0926
N2	1.2749		1.3391	2.4951	2.0257	2.0914
C3	2.2699	1.3391		1.1588	3.2465	2.5766
N4	3.3649	2.4951	1.1588		4.3822	3.4555
H5	1.0873	2.0257	3.2465	4.3822		1.8706
H6	1.0926	2.0914	2.5766	3.4555	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.516	N2	C1	H5	117.865
N2	C1	H6	123.927	N2	C3	N4	174.490
H5	C1	H6	118.208

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

using model chemistry: B3LYP/6-311G*

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	-0.213
2	N	-0.218
3	C	0.221
4	N	-0.251
5	H	0.238
6	H	0.224

	x	y	z	Total
	0.477	-4.389	0.000	4.414
CHELPG
AIM
ESP

	x	y	z
x	3.640	0.325	0.000
y	0.325	8.211	0.000
z	0.000	0.000	2.347

<r²>	70.479
(<r²>)^1/2	8.395

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

using model chemistry: B3LYP/6-311G*

States and conformations

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