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	hartrees
Energy at 0K	-185.887165
Energy at 298.15K
HF Energy	-185.887165
Nuclear repulsion energy	92.689127

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'	3106	3082	1.49	93.63	0.59	0.74
2	A'	2981	2957	13.63	126.91	0.10	0.18
3	A'	2256	2239	26.65	228.75	0.24	0.39
4	A'	1689	1676	23.37	60.56	0.23	0.38
5	A'	1436	1424	10.56	16.63	0.46	0.63
6	A'	1175	1165	12.90	2.46	0.72	0.84
7	A'	983	975	5.79	3.98	0.01	0.01
8	A'	610	605	5.72	5.70	0.18	0.31
9	A'	239	237	5.89	9.58	0.44	0.61
10	A"	1037	1029	21.67	0.71	0.75	0.86
11	A"	755	750	2.11	1.38	0.75	0.86
12	A"	357	354	7.77	0.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.090	-1.562
N2	-0.575	-0.480
C3	0.000	0.705
N4	0.394	1.800
H5	-0.464	-2.507
H6	1.191	-1.591

	C1	N2	C3	N4	H5	H6
C1		1.2705	2.2690	3.3761	1.0953	1.1010
N2	1.2705		1.3169	2.4772	2.0303	2.0863
C3	2.2690	1.3169		1.1638	3.2454	2.5862
N4	3.3761	2.4772	1.1638		4.3917	3.4833
H5	1.0953	2.0303	3.2454	4.3917		1.8916
H6	1.1010	2.0863	2.5862	3.4833	1.8916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	122.538	N2	C1	H5	118.031
N2	C1	H6	123.056	N2	C3	N4	173.885
H5	C1	H6	118.913

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

using model chemistry: SVWN/aug-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	-0.395
2	N	-0.032
3	C	0.129
4	N	-0.411
5	H	0.346
6	H	0.364

	x	y	z	Total
	0.372	-4.438	0.000	4.454
CHELPG
AIM
ESP

	x	y	z
x	4.753	0.408	0.000
y	0.408	9.460	0.000
z	0.000	0.000	3.737

<r²>	70.580
(<r²>)^1/2	8.401

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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