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	hartrees
Energy at 0K	-185.824830
Energy at 298.15K
HF Energy	-185.824830
Nuclear repulsion energy	93.791055

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'	3351	3038	5.65	72.88	0.58	0.74
2	A'	3239	2936	16.72	82.13	0.11	0.21
3	A'	2568	2328	104.28	170.19	0.24	0.38
4	A'	1871	1696	79.86	62.57	0.21	0.34
5	A'	1618	1467	33.63	23.75	0.38	0.55
6	A'	1339	1214	13.22	2.34	0.75	0.86
7	A'	1012	917	6.71	1.70	0.09	0.17
8	A'	716	649	7.60	2.17	0.17	0.29
9	A'	287	260	7.66	8.08	0.54	0.70
10	A"	1253	1136	14.22	1.22	0.75	0.86
11	A"	846	767	3.67	5.10	0.75	0.86
12	A"	442	401	12.74	0.75	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.068	-1.520
N2	-0.627	-0.478
C3	0.000	0.712
N4	0.468	1.740
H5	-0.438	-2.469
H6	1.147	-1.519

	C1	N2	C3	N4	H5	H6
C1		1.2524	2.2336	3.2845	1.0754	1.0797
N2	1.2524		1.3454	2.4733	2.0002	2.0572
C3	2.2336	1.3454		1.1289	3.2117	2.5091
N4	3.2845	2.4733	1.1289		4.3055	3.3290
H5	1.0754	2.0002	3.2117	4.3055		1.8483
H6	1.0797	2.0572	2.5091	3.3290	1.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.543	N2	C1	H5	118.267
N2	C1	H6	123.623	N2	C3	N4	176.702
H5	C1	H6	118.109

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

using model chemistry: HF/Def2TZVPP

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	0.166
2	N	-0.374
3	C	0.195
4	N	-0.170
5	H	0.097
6	H	0.086

	x	y	z	Total
	0.476	-4.938	0.000	4.961
CHELPG
AIM
ESP

	x	y	z
x	3.962	0.281	0.000
y	0.281	7.727	0.000
z	0.000	0.000	3.008

<r²>	68.659
(<r²>)^1/2	8.286

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

using model chemistry: HF/Def2TZVPP

States and conformations

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