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	hartrees
Energy at 0K	-185.776960
Energy at 298.15K
HF Energy	-185.776960
Nuclear repulsion energy	93.248579

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'	3373	3071	4.55	72.32	0.58	0.74
2	A'	3253	2962	15.84	82.79	0.09	0.16
3	A'	2566	2336	106.75	193.59	0.21	0.34
4	A'	1865	1698	77.45	68.89	0.19	0.31
5	A'	1604	1460	33.24	21.24	0.36	0.53
6	A'	1325	1207	12.66	1.90	0.73	0.85
7	A'	1011	921	5.73	2.22	0.08	0.15
8	A'	710	646	6.58	2.68	0.10	0.18
9	A'	285	259	7.97	7.53	0.50	0.66
10	A"	1242	1131	15.79	1.99	0.75	0.86
11	A"	837	762	3.29	3.41	0.75	0.86
12	A"	433	395	12.05	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.069	-1.525
N2	-0.636	-0.480
C3	0.000	0.713
N4	0.475	1.747
H5	-0.438	-2.481
H6	1.155	-1.517

	C1	N2	C3	N4	H5	H6
C1		1.2605	2.2384	3.2972	1.0825	1.0868
N2	1.2605		1.3517	2.4892	2.0112	2.0705
C3	2.2384	1.3517		1.1386	3.2238	2.5115
N4	3.2972	2.4892	1.1386		4.3261	3.3348
H5	1.0825	2.0112	3.2238	4.3261		1.8624
H6	1.0868	2.0705	2.5115	3.3348	1.8624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.897	N2	C1	H5	118.072
N2	C1	H6	123.626	N2	C3	N4	176.573
H5	C1	H6	118.303

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

using model chemistry: HF/aug-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	0.870
2	N	-0.391
3	C	0.068
4	N	-0.281
5	H	-0.157
6	H	-0.110

	x	y	z	Total
	0.474	-4.974	0.000	4.996
CHELPG
AIM
ESP

	x	y	z
x	4.323	0.279	0.000
y	0.279	8.006	0.000
z	0.000	0.000	3.458

<r²>	69.247
(<r²>)^1/2	8.321

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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