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	hartrees
Energy at 0K	-186.798433
Energy at 298.15K
HF Energy	-186.798433
Nuclear repulsion energy	92.352833

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'	3228	3103	4.91	89.35	0.60	0.75
2	A'	3099	2979	12.78	98.20	0.13	0.22
3	A'	2352	2261	30.60	160.67	0.30	0.46
4	A'	1737	1669	33.81	48.95	0.25	0.40
5	A'	1483	1426	10.07	21.56	0.48	0.65
6	A'	1217	1169	10.93	3.72	0.75	0.86
7	A'	979	941	5.01	1.03	0.02	0.04
8	A'	629	604	4.04	2.53	0.26	0.41
9	A'	250	241	5.08	8.46	0.52	0.69
10	A"	1088	1046	16.48	0.16	0.75	0.86
11	A"	782	752	1.22	6.19	0.75	0.86
12	A"	377	362	7.62	0.57	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.091	-1.549
N2	-0.614	-0.486
C3	0.000	0.706
N4	0.428	1.789
H5	-0.436	-2.507
H6	1.189	-1.555

	C1	N2	C3	N4	H5	H6
C1		1.2747	2.2568	3.3542	1.0934	1.0984
N2	1.2747		1.3412	2.5020	2.0282	2.0961
C3	2.2568	1.3412		1.1638	3.2425	2.5554
N4	3.3542	2.5020	1.1638		4.3813	3.4296
H5	1.0934	2.0282	3.2425	4.3813		1.8831
H6	1.0984	2.0961	2.5554	3.4296	1.8831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.222	N2	C1	H5	117.639
N2	C1	H6	123.911	N2	C3	N4	174.344
H5	C1	H6	118.450

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

using model chemistry: B1B95/cc-pVDZ

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	0.107
2	N	-0.172
3	C	0.071
4	N	-0.143
5	H	0.071
6	H	0.065

	x	y	z	Total
	0.437	-4.217	0.000	4.240
CHELPG
AIM
ESP

	x	y	z
x	3.522	0.325	0.000
y	0.325	7.924	0.000
z	0.000	0.000	2.241

<r²>	70.029
(<r²>)^1/2	8.368

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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