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	hartrees
Energy at 0K	-186.792860
Energy at 298.15K
HF Energy	-186.792860
Nuclear repulsion energy	92.420699

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'	3241	3101	4.59	89.70	0.61	0.76
2	A'	3114	2979	14.72	95.51	0.14	0.25
3	A'	2346	2245	43.51	217.19	0.27	0.42
4	A'	1740	1665	34.07	63.81	0.20	0.33
5	A'	1512	1447	11.67	24.49	0.44	0.61
6	A'	1231	1178	9.52	4.36	0.74	0.85
7	A'	979	937	6.42	1.63	0.06	0.10
8	A'	623	596	3.20	3.42	0.27	0.42
9	A'	248	237	6.26	10.36	0.56	0.71
10	A"	1102	1055	22.18	0.58	0.75	0.86
11	A"	781	747	1.21	6.04	0.75	0.86
12	A"	371	355	8.13	0.74	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.094	-1.552
N2	-0.606	-0.487
C3	0.000	0.707
N4	0.417	1.793
H5	-0.431	-2.503
H6	1.185	-1.560

	C1	N2	C3	N4	H5	H6
C1		1.2744	2.2609	3.3606	1.0859	1.0911
N2	1.2744		1.3391	2.4993	2.0226	2.0877
C3	2.2609	1.3391		1.1635	3.2381	2.5577
N4	3.3606	2.4993	1.1635		4.3783	3.4393
H5	1.0859	2.0226	3.2381	4.3783		1.8714
H6	1.0911	2.0877	2.5577	3.4393	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.767	N2	C1	H5	117.726
N2	C1	H6	123.722	N2	C3	N4	174.121
H5	C1	H6	118.552

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

using model chemistry: B1B95/6-31+G**

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	-0.081
2	N	-0.222
3	C	0.370
4	N	-0.411
5	H	0.175
6	H	0.168

	x	y	z	Total
	0.559	-4.519	0.000	4.554
CHELPG
AIM
ESP

	x	y	z
x	4.079	0.440	0.000
y	0.440	8.743	0.000
z	0.000	0.000	2.864

<r²>	70.466
(<r²>)^1/2	8.394

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

using model chemistry: B1B95/6-31+G**

States and conformations

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