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	hartrees
Energy at 0K	-186.816197
Energy at 298.15K
HF Energy	-186.816197
Nuclear repulsion energy	90.701739

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'	3238	3113	9.72	87.51	0.53	0.69
2	A'	3097	2977	28.01	96.88	0.16	0.28
3	A'	2217	2131	40.13	216.96	0.28	0.43
4	A'	1684	1619	21.52	47.47	0.23	0.37
5	A'	1530	1471	11.75	32.17	0.48	0.65
6	A'	1214	1167	3.72	6.45	0.74	0.85
7	A'	918	883	5.85	3.40	0.06	0.11
8	A'	587	564	4.04	4.30	0.48	0.65
9	A'	245	236	8.36	10.66	0.54	0.70
10	A"	1129	1085	44.79	1.66	0.75	0.86
11	A"	772	742	0.07	7.18	0.75	0.86
12	A"	361	347	5.90	0.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.121	-1.616
N2	-0.544	-0.506
C3	0.000	0.729
N4	0.331	1.870
H5	-0.446	-2.546
H6	1.214	-1.679

	C1	N2	C3	N4	H5	H6
C1		1.2944	2.3479	3.4927	1.0888	1.0953
N2	1.2944		1.3490	2.5321	2.0427	2.1142
C3	2.3479	1.3490		1.1886	3.3049	2.6966
N4	3.4927	2.5321	1.1886		4.4840	3.6575
H5	1.0888	2.0427	3.3049	4.4840		1.8726
H6	1.0953	2.1142	2.6966	3.6575	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	125.283	N2	C1	H5	117.739
N2	C1	H6	124.217	N2	C3	N4	172.386
H5	C1	H6	118.045

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

using model chemistry: B3LYP/SDD

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	-0.353
2	N	0.039
3	C	-0.118
4	N	-0.031
5	H	0.234
6	H	0.228

	x	y	z	Total
	0.921	-4.531	0.000	4.624
CHELPG
AIM
ESP

	x	y	z
x	3.275	0.240	0.000
y	0.240	8.842	0.000
z	0.000	0.000	2.108

<r²>	73.805
(<r²>)^1/2	8.591

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

using model chemistry: B3LYP/SDD

States and conformations

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