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	hartrees
Energy at 0K	-185.738926
Energy at 298.15K
HF Energy	-185.738926
Nuclear repulsion energy	91.873971

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'	3236	3096	10.49	86.27	0.54	0.70
2	A'	3108	2973	12.78	85.48	0.15	0.26
3	A'	2308	2208	20.25	129.62	0.32	0.49
4	A'	1704	1631	31.31	29.77	0.27	0.42
5	A'	1552	1484	10.13	29.39	0.45	0.62
6	A'	1235	1181	4.71	5.23	0.74	0.85
7	A'	931	891	4.37	1.77	0.05	0.09
8	A'	615	588	3.93	2.93	0.46	0.63
9	A'	259	247	7.49	8.98	0.53	0.69
10	A"	1120	1072	32.04	0.06	0.75	0.86
11	A"	804	769	1.17	10.15	0.75	0.86
12	A"	411	393	6.65	1.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.096	-1.587
N2	-0.563	-0.491
C3	0.000	0.722
N4	0.377	1.828
H5	-0.459	-2.517
H6	1.184	-1.648

	C1	N2	C3	N4	H5	H6
C1		1.2790	2.3115	3.4263	1.0830	1.0893
N2	1.2790		1.3382	2.5027	2.0284	2.0953
C3	2.3115	1.3382		1.1679	3.2718	2.6495
N4	3.4263	2.5027	1.1679		4.4245	3.5678
H5	1.0830	2.0284	3.2718	4.4245		1.8583
H6	1.0893	2.0953	2.6495	3.5678	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	124.048	N2	C1	H5	118.128
N2	C1	H6	124.249	N2	C3	N4	173.955
H5	C1	H6	117.624

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

using model chemistry: B1B95/3-21G

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	-0.119
2	N	-0.519
3	C	0.575
4	N	-0.423
5	H	0.253
6	H	0.232

	x	y	z	Total
	0.767	-4.131	0.000	4.202
CHELPG
AIM
ESP

	x	y	z
x	2.918	0.265	0.000
y	0.265	7.733	0.000
z	0.000	0.000	1.608

<r²>	71.711
(<r²>)^1/2	8.468

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

using model chemistry: B1B95/3-21G

States and conformations

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