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	hartrees
Energy at 0K	-185.650229
Energy at 298.15K
HF Energy	-185.650229
Nuclear repulsion energy	92.542615

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'	3437	3103	7.24	89.42	0.53	0.70
2	A'	3301	2980	10.02	83.71	0.15	0.26
3	A'	2528	2283	83.67	166.99	0.29	0.45
4	A'	1873	1691	61.19	55.44	0.26	0.41
5	A'	1651	1490	22.13	33.96	0.44	0.61
6	A'	1340	1209	5.88	4.11	0.75	0.85
7	A'	989	893	4.34	1.87	0.09	0.16
8	A'	644	581	5.29	3.61	0.55	0.71
9	A'	263	238	9.14	10.07	0.57	0.73
10	A"	1260	1138	25.25	1.22	0.75	0.86
11	A"	842	760	1.91	15.56	0.75	0.86
12	A"	385	347	12.37	1.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.089	-1.574
N2	-0.570	-0.493
C3	0.000	0.727
N4	0.393	1.807
H5	-0.457	-2.494
H6	1.164	-1.623

	C1	N2	C3	N4	H5	H6
C1		1.2665	2.3035	3.3948	1.0700	1.0765
N2	1.2665		1.3468	2.4932	2.0047	2.0700
C3	2.3035	1.3468		1.1487	3.2540	2.6227
N4	3.3948	2.4932	1.1487		4.3844	3.5152
H5	1.0700	2.0047	3.2540	4.3844		1.8411
H6	1.0765	2.0700	2.6227	3.5152	1.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.601	N2	C1	H5	117.943
N2	C1	H6	123.930	N2	C3	N4	174.958
H5	C1	H6	118.127

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

using model chemistry: HF/6-31G

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	-0.044
2	N	-0.446
3	C	0.315
4	N	-0.242
5	H	0.218
6	H	0.199

	x	y	z	Total
	1.038	-4.821	0.000	4.932
CHELPG
AIM
ESP

	x	y	z
x	3.112	0.130	0.000
y	0.130	7.886	0.000
z	0.000	0.000	1.755

<r²>	71.362
(<r²>)^1/2	8.448

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

using model chemistry: HF/6-31G

States and conformations

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