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	hartrees
Energy at 0K	-184.440186
Energy at 298.15K
HF Energy	-184.440186
Nuclear repulsion energy	89.718255

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'	3559	3559	4.95	42.62	0.66	0.79
2	A'	3392	3392	22.35	36.68	0.12	0.22
3	A'	2430	2430	7.39	56.08	0.29	0.44
4	A'	1781	1781	21.94	13.79	0.15	0.26
5	A'	1557	1557	10.35	26.00	0.52	0.68
6	A'	1240	1240	1.74	4.21	0.73	0.84
7	A'	898	898	0.34	1.10	0.03	0.07
8	A'	637	637	4.47	0.84	0.38	0.55
9	A'	250	250	5.20	4.53	0.55	0.71
10	A"	1092	1092	15.93	0.04	0.75	0.86
11	A"	835	835	0.00	6.47	0.75	0.86
12	A"	360	360	9.66	0.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.124	-1.564
N2	-0.674	-0.528
C3	0.000	0.725
N4	0.441	1.831
H5	-0.345	-2.560
H6	1.227	-1.524

	C1	N2	C3	N4	H5	H6
C1		1.3083	2.2930	3.4097	1.1011	1.1036
N2	1.3083		1.4229	2.6090	2.0589	2.1464
C3	2.2930	1.4229		1.1902	3.3037	2.5624
N4	3.4097	2.6090	1.1902		4.4609	3.4455
H5	1.1011	2.0589	3.3037	4.4609		1.8832
H6	1.1036	2.1464	2.5624	3.4455	1.8832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	114.120	N2	C1	H5	117.155
N2	C1	H6	125.516	N2	C3	N4	173.492
H5	C1	H6	117.329

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

using model chemistry: M06-2X/STO-3G

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	0.001
2	N	-0.183
3	C	0.132
4	N	-0.168
5	H	0.113
6	H	0.105

	x	y	z	Total
	0.801	-3.194	0.000	3.292
CHELPG
AIM
ESP

	x	y	z
x	1.755	0.248	0.000
y	0.248	5.161	0.000
z	0.000	0.000	0.833

<r²>	71.944
(<r²>)^1/2	8.482

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

using model chemistry: M06-2X/STO-3G

States and conformations

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