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	hartrees
Energy at 0K	-32.186356
Energy at 298.15K
HF Energy	-32.186356
Nuclear repulsion energy	46.067829

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'	3197	3116	12.82	103.96	0.57	0.72
2	A'	3048	2971	25.41	111.79	0.17	0.29
3	A'	2169	2114	33.81	217.83	0.27	0.42
4	A'	1645	1603	20.54	37.35	0.19	0.32
5	A'	1513	1474	15.21	42.92	0.43	0.60
6	A'	1213	1182	4.06	5.55	0.74	0.85
7	A'	890	867	5.03	2.90	0.03	0.05
8	A'	578	563	2.29	4.47	0.40	0.57
9	A'	242	236	7.43	11.47	0.54	0.71
10	A"	1114	1086	31.70	0.16	0.75	0.86
11	A"	768	749	0.07	7.54	0.75	0.86
12	A"	348	339	6.06	0.64	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.125	-1.612
N2	-0.570	-0.511
C3	0.000	0.729
N4	0.349	1.867
H5	-0.426	-2.550
H6	1.220	-1.648

	C1	N2	C3	N4	H5	H6
C1		1.3018	2.3437	3.4861	1.0884	1.0957
N2	1.3018		1.3640	2.5492	2.0447	2.1204
C3	2.3437	1.3640		1.1909	3.3065	2.6713
N4	3.4861	2.5492	1.1909		4.4850	3.6211
H5	1.0884	2.0447	3.3065	4.4850		1.8773
H6	1.0957	2.1204	2.6713	3.6211	1.8773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.068	N2	C1	H5	117.345
N2	C1	H6	124.130	N2	C3	N4	172.374
H5	C1	H6	118.525

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

using model chemistry: B3LYP/CEP-121G

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	-0.260
2	N	0.205
3	C	-0.508
4	N	0.214
5	H	0.187
6	H	0.162

	x	y	z	Total
	0.884	-4.488	0.000	4.574
CHELPG
AIM
ESP

	x	y	z
x	3.660	0.154	0.000
y	0.154	9.106	0.000
z	0.000	0.000	2.405

<r²>	59.307
(<r²>)^1/2	7.701

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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