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	hartrees
Energy at 0K	-186.926833
Energy at 298.15K
HF Energy	-186.926833
Nuclear repulsion energy	92.522648

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'	3189	3079	5.70	90.50	0.57	0.73
2	A'	3066	2960	17.67	102.88	0.15	0.26
3	A'	2309	2229	37.49	203.53	0.27	0.43
4	A'	1703	1644	30.55	56.35	0.22	0.36
5	A'	1513	1461	13.53	30.41	0.40	0.58
6	A'	1231	1189	8.70	4.62	0.75	0.86
7	A'	956	923	6.90	1.29	0.09	0.17
8	A'	628	606	3.84	3.57	0.30	0.46
9	A'	254	245	6.07	10.75	0.55	0.71
10	A"	1108	1070	18.97	0.50	0.75	0.86
11	A"	779	752	1.67	5.51	0.75	0.86
12	A"	374	361	9.09	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.090	-1.557
N2	-0.596	-0.485
C3	0.000	0.712
N4	0.414	1.793
H5	-0.445	-2.502
H6	1.181	-1.581

	C1	N2	C3	N4	H5	H6
C1		1.2728	2.2712	3.3663	1.0855	1.0913
N2	1.2728		1.3373	2.4922	2.0222	2.0876
C3	2.2712	1.3373		1.1577	3.2445	2.5792
N4	3.3663	2.4922	1.1577		4.3801	3.4603
H5	1.0855	2.0222	3.2445	4.3801		1.8688
H6	1.0913	2.0876	2.5792	3.4603	1.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.929	N2	C1	H5	117.853
N2	C1	H6	123.840	N2	C3	N4	174.474
H5	C1	H6	118.306

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

using model chemistry: B3LYP/TZVP

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	-0.073
2	N	-0.107
3	C	0.056
4	N	-0.156
5	H	0.154
6	H	0.126

	x	y	z	Total
	0.537	-4.485	0.000	4.517
CHELPG
AIM
ESP

	x	y	z
x	3.962	0.377	0.000
y	0.377	8.715	0.000
z	0.000	0.000	2.777

<r²>	70.655
(<r²>)^1/2	8.406

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

using model chemistry: B3LYP/TZVP

States and conformations

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