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	hartrees
Energy at 0K	-186.847905
Energy at 298.15K
HF Energy	-186.847905
Nuclear repulsion energy	92.671156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3066	4.97
2	A'	3070	2953	16.73
3	A'	2314	2225	32.95
4	A'	1711	1646	30.40
5	A'	1498	1440	13.86
6	A'	1222	1175	10.86
7	A'	967	930	5.97
8	A'	635	611	5.28
9	A'	252	243	5.76
10	A"	1096	1054	18.82
11	A"	781	751	1.76
12	A"	376	362	8.49

Atom	x (Å)	y (Å)
C1	0.091	-1.552
N2	-0.598	-0.485
C3	0.000	0.708
N4	0.414	1.789
H5	-0.441	-2.500
H6	1.182	-1.569

	C1	N2	C3	N4	H5	H6
C1		1.2709	2.2628	3.3573	1.0862	1.0910
N2	1.2709		1.3345	2.4888	2.0211	2.0842
C3	2.2628	1.3345		1.1573	3.2381	2.5658
N4	3.3573	2.4888	1.1573		4.3731	3.4449
H5	1.0862	2.0211	3.2381	4.3731		1.8707
H6	1.0910	2.0842	2.5658	3.4449	1.8707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.549	N2	C1	H5	117.844
N2	C1	H6	123.693	N2	C3	N4	174.335
H5	C1	H6	118.463

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.026
2	N	-0.108
3	C	0.022
4	N	-0.117
5	H	0.129
6	H	0.100

	x	y	z	Total
	0.424	-4.460	0.000	4.480
CHELPG
AIM
ESP

	x	y	z
x	4.024	0.344	0.000
y	0.344	8.504	0.000
z	0.000	0.000	2.940

<r²>	70.097
(<r²>)^1/2	8.372

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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