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	hartrees
Energy at 0K	-185.775370
Energy at 298.15K
HF Energy	-185.775370
Nuclear repulsion energy	90.703609

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'	3114	3097	15.50	95.81	0.53	0.69
2	A'	2990	2973	20.76	95.04	0.16	0.28
3	A'	2149	2137	7.73	116.13	0.33	0.50
4	A'	1600	1591	16.03	14.82	0.27	0.42
5	A'	1497	1489	11.15	39.95	0.41	0.58
6	A'	1188	1181	4.38	5.73	0.72	0.84
7	A'	882	877	3.57	2.89	0.07	0.14
8	A'	592	588	2.40	3.29	0.42	0.59
9	A'	255	253	6.14	8.93	0.52	0.69
10	A"	1048	1042	29.66	0.01	0.75	0.86
11	A"	772	768	0.40	8.73	0.75	0.86
12	A"	389	387	4.66	1.37	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.114	-1.608
N2	-0.563	-0.501
C3	0.000	0.726
N4	0.355	1.859
H5	-0.441	-2.549
H6	1.212	-1.668

	C1	N2	C3	N4	H5	H6
C1		1.2983	2.3369	3.4755	1.0931	1.0996
N2	1.2983		1.3498	2.5321	2.0525	2.1252
C3	2.3369	1.3498		1.1874	3.3052	2.6840
N4	3.4755	2.5321	1.1874		4.4799	3.6302
H5	1.0931	2.0525	3.3052	4.4799		1.8736
H6	1.0996	2.1252	2.6840	3.6302	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.881	N2	C1	H5	117.995
N2	C1	H6	124.608	N2	C3	N4	172.741
H5	C1	H6	117.398

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

using model chemistry: BLYP/3-21G

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	-0.094
2	N	-0.454
3	C	0.526
4	N	-0.399
5	H	0.220
6	H	0.201

	x	y	z	Total
	0.670	-3.896	0.000	3.953
CHELPG
AIM
ESP

	x	y	z
x	3.005	0.251	0.000
y	0.251	8.189	0.000
z	0.000	0.000	1.640

<r²>	73.217
(<r²>)^1/2	8.557

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

using model chemistry: BLYP/3-21G

States and conformations

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