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	hartrees
Energy at 0K	-186.825763
Energy at 298.15K
HF Energy	-186.825763
Nuclear repulsion energy	92.545413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3081	9.26
2	A'	3078	2963	22.35
3	A'	2321	2235	32.58
4	A'	1718	1654	32.29
5	A'	1510	1453	12.70
6	A'	1234	1188	9.86
7	A'	972	935	6.41
8	A'	633	610	4.65
9	A'	253	243	5.86
10	A"	1085	1045	20.75
11	A"	780	751	1.99
12	A"	378	364	8.62

Atom	x (Å)	y (Å)
C1	0.089	-1.553
N2	-0.602	-0.483
C3	0.000	0.709
N4	0.420	1.789
H5	-0.445	-2.501
H6	1.182	-1.574

	C1	N2	C3	N4	H5	H6
C1		1.2734	2.2638	3.3589	1.0881	1.0932
N2	1.2734		1.3356	2.4920	2.0237	2.0908
C3	2.2638	1.3356		1.1593	3.2407	2.5709
N4	3.3589	2.4920	1.1593		4.3769	3.4487
H5	1.0881	2.0237	3.2407	4.3769		1.8727
H6	1.0932	2.0908	2.5709	3.4487	1.8727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.365	N2	C1	H5	117.743
N2	C1	H6	123.953	N2	C3	N4	174.468
H5	C1	H6	118.304

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

using model chemistry: B3PW91/6-311G*

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	-0.221
2	N	-0.246
3	C	0.279
4	N	-0.293
5	H	0.246
6	H	0.235

	x	y	z	Total
	0.488	-4.428	0.000	4.455
CHELPG
AIM
ESP

	x	y	z
x	3.629	0.347	0.000
y	0.347	8.197	0.000
z	0.000	0.000	2.347

<r²>	70.199
(<r²>)^1/2	8.378

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

using model chemistry: B3PW91/6-311G*

States and conformations

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