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	hartrees
Energy at 0K	-186.698368
Energy at 298.15K
HF Energy	-186.494811
Nuclear repulsion energy	91.842017

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'	3261	3261	4.36	88.39	0.60	0.75
2	A'	3131	3131	14.97	95.51	0.14	0.25
3	A'	2246	2246	26.93	204.13	0.26	0.41
4	A'	1696	1696	23.16	47.45	0.17	0.30
5	A'	1521	1521	13.61	31.02	0.38	0.56
6	A'	1240	1240	8.28	4.31	0.73	0.84
7	A'	953	953	6.51	1.61	0.07	0.13
8	A'	615	615	2.35	3.25	0.25	0.41
9	A'	248	248	6.23	10.06	0.56	0.71
10	A"	1099	1099	21.88	0.55	0.75	0.86
11	A"	774	774	0.70	5.56	0.75	0.86
12	A"	357	357	7.90	0.71	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.099	-1.559
N2	-0.616	-0.493
C3	0.000	0.707
N4	0.421	1.804
H5	-0.418	-2.512
H6	1.189	-1.555

	C1	N2	C3	N4	H5	H6
C1		1.2837	2.2682	3.3775	1.0843	1.0899
N2	1.2837		1.3491	2.5197	2.0286	2.0949
C3	2.2682	1.3491		1.1743	3.2460	2.5562
N4	3.3775	2.5197	1.1743		4.3960	3.4457
H5	1.0843	2.0286	3.2460	4.3960		1.8700
H6	1.0899	2.0949	2.5562	3.4457	1.8700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.953	N2	C1	H5	117.648
N2	C1	H6	123.700	N2	C3	N4	173.834
H5	C1	H6	118.652

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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