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	hartrees
Energy at 0K	-185.742209
Energy at 298.15K
HF Energy	-185.742209
Nuclear repulsion energy	91.602701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3089	10.89
2	A'	3087	2967	14.23
3	A'	2277	2189	17.79
4	A'	1684	1619	27.63
5	A'	1542	1482	10.10
6	A'	1227	1180	4.49
7	A'	926	890	4.29
8	A'	613	590	3.77
9	A'	259	249	7.46
10	A"	1108	1065	33.38
11	A"	798	767	1.11
12	A"	408	392	6.28

Atom	x (Å)	y (Å)
C1	0.100	-1.592
N2	-0.563	-0.493
C3	0.000	0.723
N4	0.373	1.835
H5	-0.457	-2.525
H6	1.190	-1.654

	C1	N2	C3	N4	H5	H6
C1		1.2836	2.3173	3.4382	1.0861	1.0924
N2	1.2836		1.3395	2.5087	2.0348	2.1028
C3	2.3173	1.3395		1.1729	3.2797	2.6584
N4	3.4382	2.5087	1.1729		4.4382	3.5838
H5	1.0861	2.0348	3.2797	4.4382		1.8633
H6	1.0924	2.1028	2.6584	3.5838	1.8633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	124.098	N2	C1	H5	118.101
N2	C1	H6	124.310	N2	C3	N4	173.679
H5	C1	H6	117.589

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

using model chemistry: B3PW91/3-21G

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	-0.130
2	N	-0.514
3	C	0.580
4	N	-0.428
5	H	0.257
6	H	0.236

	x	y	z	Total
	0.759	-4.162	0.000	4.230
CHELPG
AIM
ESP

	x	y	z
x	2.938	0.262	0.000
y	0.262	7.861	0.000
z	0.000	0.000	1.622

<r²>	72.073
(<r²>)^1/2	8.490

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

using model chemistry: B3PW91/3-21G

States and conformations

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