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	hartrees
Energy at 0K	-185.732658
Energy at 298.15K
HF Energy	-185.732658
Nuclear repulsion energy	91.667718

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'	3250	3116	6.39	80.87	0.49	0.66
2	A'	3114	2985	7.97	75.52	0.16	0.28
3	A'	2349	2252	22.77	116.65	0.31	0.48
4	A'	1720	1649	38.00	28.99	0.25	0.41
5	A'	1553	1489	10.98	26.94	0.46	0.63
6	A'	1242	1191	4.58	5.19	0.74	0.85
7	A'	920	882	4.36	1.39	0.05	0.09
8	A'	622	597	4.21	2.40	0.50	0.66
9	A'	258	248	8.05	8.49	0.54	0.70
10	A"	1142	1095	29.31	0.03	0.75	0.86
11	A"	811	777	1.66	10.89	0.75	0.86
12	A"	415	398	7.98	0.91	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.087	-1.583
N2	-0.586	-0.493
C3	0.000	0.727
N4	0.409	1.819
H5	-0.460	-2.519
H6	1.176	-1.629

	C1	N2	C3	N4	H5	H6
C1		1.2811	2.3114	3.4167	1.0838	1.0902
N2	1.2811		1.3530	2.5164	2.0303	2.0965
C3	2.3114	1.3530		1.1659	3.2782	2.6328
N4	3.4167	2.5164	1.1659		4.4236	3.5314
H5	1.0838	2.0303	3.2782	4.4236		1.8621
H6	1.0902	2.0965	2.6328	3.5314	1.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	122.657	N2	C1	H5	118.057
N2	C1	H6	124.082	N2	C3	N4	174.892
H5	C1	H6	117.860

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

using model chemistry: M06-2X/3-21G

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	-0.100
2	N	-0.511
3	C	0.533
4	N	-0.396
5	H	0.248
6	H	0.225

	x	y	z	Total
	0.816	-4.160	0.000	4.240
CHELPG
AIM
ESP

	x	y	z
x	2.927	0.299	0.000
y	0.299	7.445	0.000
z	0.000	0.000	1.597

<r²>	71.868
(<r²>)^1/2	8.477

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

using model chemistry: M06-2X/3-21G

States and conformations

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