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	hartrees
Energy at 0K	-186.795280
Energy at 298.15K
HF Energy	-186.795280
Nuclear repulsion energy	92.640805

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'	3227	3073	4.61	77.21	0.60	0.75
2	A'	3110	2962	10.94	81.43	0.13	0.23
3	A'	2397	2283	35.92	146.25	0.28	0.44
4	A'	1757	1673	44.63	40.92	0.23	0.38
5	A'	1508	1436	13.22	22.22	0.44	0.61
6	A'	1235	1177	10.70	3.66	0.75	0.85
7	A'	971	925	5.02	0.96	0.02	0.04
8	A'	654	623	5.84	2.07	0.20	0.34
9	A'	256	244	6.07	7.25	0.50	0.66
10	A"	1119	1066	17.13	0.11	0.75	0.86
11	A"	798	760	2.20	6.53	0.75	0.86
12	A"	401	381	10.05	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.079	-1.540
N2	-0.627	-0.484
C3	0.000	0.710
N4	0.454	1.771
H5	-0.437	-2.497
H6	1.170	-1.536

	C1	N2	C3	N4	H5	H6
C1		1.2703	2.2512	3.3322	1.0872	1.0914
N2	1.2703		1.3481	2.5005	2.0221	2.0826
C3	2.2512	1.3481		1.1543	3.2364	2.5328
N4	3.3322	2.5005	1.1543		4.3600	3.3840
H5	1.0872	2.0221	3.2364	4.3600		1.8726
H6	1.0914	2.0826	2.5328	3.3840	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.554	N2	C1	H5	117.918
N2	C1	H6	123.554	N2	C3	N4	175.479
H5	C1	H6	118.529

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

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.176
2	N	-0.209
3	C	0.319
4	N	-0.281
5	H	0.175
6	H	0.173

	x	y	z	Total
	0.412	-4.292	0.000	4.312
CHELPG
AIM
ESP

	x	y	z
x	3.711	0.386	0.000
y	0.386	7.722	0.000
z	0.000	0.000	2.507

<r²>	69.560
(<r²>)^1/2	8.340

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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