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	hartrees
Energy at 0K	-186.872281
Energy at 298.15K
HF Energy	-186.872281
Nuclear repulsion energy	92.019643

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'	3212	3092	4.96	93.52	0.60	0.75
2	A'	3086	2971	16.04	98.29	0.15	0.26
3	A'	2302	2216	39.68	228.27	0.27	0.42
4	A'	1705	1641	29.07	64.75	0.20	0.33
5	A'	1508	1452	12.25	29.27	0.42	0.59
6	A'	1227	1181	9.35	4.43	0.73	0.84
7	A'	959	924	6.64	1.68	0.07	0.13
8	A'	617	594	3.26	3.93	0.27	0.43
9	A'	250	240	6.13	10.72	0.55	0.71
10	A"	1092	1052	21.46	0.75	0.75	0.86
11	A"	772	744	1.09	5.64	0.75	0.86
12	A"	365	351	7.84	0.74	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.101	-1.563
N2	-0.600	-0.492
C3	0.000	0.711
N4	0.404	1.806
H5	-0.426	-2.515
H6	1.195	-1.573

	C1	N2	C3	N4	H5	H6
C1		1.2805	2.2760	3.3832	1.0880	1.0936
N2	1.2805		1.3437	2.5078	2.0306	2.0955
C3	2.2760	1.3437		1.1679	3.2535	2.5774
N4	3.3832	2.5078	1.1679		4.4003	3.4710
H5	1.0880	2.0306	3.2535	4.4003		1.8745
H6	1.0936	2.0955	2.5774	3.4710	1.8745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.275	N2	C1	H5	117.807
N2	C1	H6	123.731	N2	C3	N4	173.703
H5	C1	H6	118.463

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

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.069
2	N	-0.239
3	C	0.427
4	N	-0.443
5	H	0.164
6	H	0.159

	x	y	z	Total
	0.576	-4.553	0.000	4.589
CHELPG
AIM
ESP

	x	y	z
x	4.160	0.415	0.000
y	0.415	9.019	0.000
z	0.000	0.000	2.953

<r²>	71.241
(<r²>)^1/2	8.440

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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