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	hartrees
Energy at 0K	-185.820453
Energy at 298.15K
HF Energy	-185.820453
Nuclear repulsion energy	93.769801

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'	3349	3030	4.97	70.82	0.58	0.73
2	A'	3237	2928	16.85	82.52	0.09	0.16
3	A'	2564	2319	108.58	195.89	0.19	0.32
4	A'	1867	1689	79.44	67.03	0.18	0.31
5	A'	1617	1462	35.22	22.88	0.35	0.52
6	A'	1337	1209	13.30	1.90	0.72	0.84
7	A'	1010	914	6.62	2.22	0.09	0.17
8	A'	715	647	7.36	2.64	0.10	0.18
9	A'	287	259	7.90	7.16	0.47	0.64
10	A"	1253	1133	15.00	1.93	0.75	0.86
11	A"	846	765	3.50	3.15	0.75	0.86
12	A"	442	400	12.38	0.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.068	-1.520
N2	-0.627	-0.478
C3	0.000	0.712
N4	0.467	1.740
H5	-0.437	-2.470
H6	1.148	-1.518

	C1	N2	C3	N4	H5	H6
C1		1.2530	2.2337	3.2850	1.0753	1.0797
N2	1.2530		1.3459	2.4740	2.0004	2.0575
C3	2.2337	1.3459		1.1291	3.2118	2.5085
N4	3.2850	2.4740	1.1291		4.3059	3.3288
H5	1.0753	2.0004	3.2118	4.3059		1.8486
H6	1.0797	2.0575	2.5085	3.3288	1.8486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.480	N2	C1	H5	118.240
N2	C1	H6	123.610	N2	C3	N4	176.649
H5	C1	H6	118.149

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

using model chemistry: HF/daug-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	-0.954
2	N	-0.427
3	C	0.282
4	N	-0.981
5	H	1.018
6	H	1.063

	x	y	z	Total
	0.469	-4.949	0.000	4.971
CHELPG
AIM
ESP

	x	y	z
x	4.332	0.252	0.000
y	0.252	7.912	0.000
z	0.000	0.000	3.492

<r²>	68.699
(<r²>)^1/2	8.288

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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