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	hartrees
Energy at 0K	-186.793996
Energy at 298.15K
HF Energy	-186.793996
Nuclear repulsion energy	92.419849

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'	3202	3078	5.74	78.62	0.59	0.75
2	A'	3083	2964	14.35	84.63	0.13	0.23
3	A'	2321	2231	27.43	165.32	0.29	0.45
4	A'	1720	1654	31.73	46.64	0.25	0.40
5	A'	1500	1442	10.59	23.56	0.43	0.60
6	A'	1220	1173	10.25	3.86	0.75	0.86
7	A'	969	932	5.20	1.35	0.01	0.02
8	A'	636	611	6.09	2.87	0.23	0.38
9	A'	253	243	5.58	8.27	0.49	0.65
10	A"	1090	1048	17.51	0.11	0.75	0.86
11	A"	786	755	1.85	5.60	0.75	0.86
12	A"	387	373	9.25	0.56	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.091	-1.556
N2	-0.599	-0.485
C3	0.000	0.709
N4	0.416	1.795
H5	-0.443	-2.506
H6	1.184	-1.577

	C1	N2	C3	N4	H5	H6
C1		1.2740	2.2673	3.3667	1.0889	1.0932
N2	1.2740		1.3364	2.4957	2.0265	2.0905
C3	2.2673	1.3364		1.1624	3.2452	2.5742
N4	3.3667	2.4957	1.1624		4.3852	3.4577
H5	1.0889	2.0265	3.2452	4.3852		1.8728
H6	1.0932	2.0905	2.5742	3.4577	1.8728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.564	N2	C1	H5	117.892
N2	C1	H6	123.861	N2	C3	N4	174.317
H5	C1	H6	118.247

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

using model chemistry: B3PW91/6-31G(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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Number	Element	Mulliken
1	C	-0.206
2	N	-0.215
3	C	0.409
4	N	-0.348
5	H	0.181
6	H	0.178

	x	y	z	Total
	0.408	-4.345	0.000	4.365
CHELPG
AIM
ESP

	x	y	z
x	3.699	0.364	0.000
y	0.364	8.157	0.000
z	0.000	0.000	2.540

<r²>	70.146
(<r²>)^1/2	8.375

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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