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	hartrees
Energy at 0K	-186.815175
Energy at 298.15K
HF Energy	-186.815175
Nuclear repulsion energy	92.342750

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'	3233	3233	1.85	80.55	0.60	0.75
2	A'	3109	3109	10.73	101.39	0.08	0.15
3	A'	2382	2382	44.48	206.23	0.21	0.35
4	A'	1742	1742	37.58	59.26	0.19	0.32
5	A'	1500	1500	18.17	19.42	0.38	0.55
6	A'	1230	1230	10.46	2.56	0.70	0.82
7	A'	967	967	5.34	1.77	0.10	0.18
8	A'	649	649	4.18	3.44	0.12	0.22
9	A'	253	253	6.55	7.52	0.46	0.63
10	A"	1131	1131	20.74	0.64	0.75	0.86
11	A"	789	789	1.61	2.19	0.75	0.86
12	A"	382	382	8.80	0.24	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.084	-1.542
N2	-0.632	-0.486
C3	0.000	0.709
N4	0.454	1.776
H5	-0.432	-2.503
H6	1.179	-1.526

	C1	N2	C3	N4	H5	H6
C1		1.2756	2.2528	3.3389	1.0904	1.0950
N2	1.2756		1.3524	2.5098	2.0266	2.0881
C3	2.2528	1.3524		1.1596	3.2410	2.5269
N4	3.3389	2.5098	1.1596		4.3698	3.3808
H5	1.0904	2.0266	3.2410	4.3698		1.8835
H6	1.0950	2.0881	2.5269	3.3808	1.8835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.982	N2	C1	H5	117.650
N2	C1	H6	123.305	N2	C3	N4	175.169
H5	C1	H6	119.045

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

using model chemistry: M06-2X/daug-cc-pVDZ

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	0.705
2	N	0.861
3	C	0.410
4	N	-0.489
5	H	-0.746
6	H	-0.741

	x	y	z	Total
	0.456	-4.481	0.000	4.504
CHELPG
AIM
ESP

	x	y	z
x	4.575	0.373	0.000
y	0.373	8.537	0.000
z	0.000	0.000	3.614

<r²>	70.206
(<r²>)^1/2	8.379

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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