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	hartrees
Energy at 0K	-186.474922
Energy at 298.15K
HF Energy	-185.768471
Nuclear repulsion energy	92.528119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3076	3.90
2	A'	3148	2964	9.17
3	A'	2361	2223	22.36
4	A'	1732	1631	28.55
5	A'	1526	1437	13.39
6	A'	1253	1180	8.80
7	A'	955	899	5.36
8	A'	655	617	5.51
9	A'	266	251	6.19
10	A"	1116	1051	16.81
11	A"	806	759	1.77
12	A"	427	402	10.81

Atom	x (Å)	y (Å)
C1	0.077	-1.538
N2	-0.636	-0.482
C3	0.000	0.709
N4	0.465	1.769
H5	-0.432	-2.495
H6	1.165	-1.532

	C1	N2	C3	N4	H5	H6
C1		1.2740	2.2480	3.3292	1.0837	1.0882
N2	1.2740		1.3504	2.5061	2.0226	2.0852
C3	2.2480	1.3504		1.1575	3.2323	2.5260
N4	3.3292	2.5061	1.1575		4.3566	3.3743
H5	1.0837	2.0226	3.2323	4.3566		1.8646
H6	1.0882	2.0852	2.5260	3.3743	1.8646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.838	N2	C1	H5	117.935
N2	C1	H6	123.760	N2	C3	N4	175.600
H5	C1	H6	118.305

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

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