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	hartrees
Energy at 0K	-185.827767
Energy at 298.15K
HF Energy	-185.827767
Nuclear repulsion energy	91.226673

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'	3205	3095	12.95	92.22	0.54	0.70
2	A'	3077	2972	17.02	91.63	0.15	0.27
3	A'	2226	2150	12.88	124.90	0.33	0.49
4	A'	1649	1593	20.53	20.82	0.26	0.41
5	A'	1534	1482	11.82	39.87	0.41	0.58
6	A'	1223	1181	4.59	5.44	0.73	0.84
7	A'	903	872	3.73	2.32	0.06	0.11
8	A'	609	588	2.64	3.06	0.45	0.62
9	A'	257	249	7.10	9.01	0.53	0.69
10	A"	1094	1056	33.35	0.09	0.75	0.86
11	A"	796	769	0.68	9.69	0.75	0.86
12	A"	401	387	5.51	1.13	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.110	-1.597
N2	-0.568	-0.497
C3	0.000	0.723
N4	0.365	1.844
H5	-0.442	-2.531
H6	1.201	-1.649

	C1	N2	C3	N4	H5	H6
C1		1.2914	2.3222	3.4497	1.0856	1.0920
N2	1.2914		1.3461	2.5203	2.0377	2.1103
C3	2.3222	1.3461		1.1787	3.2842	2.6583
N4	3.4497	2.5203	1.1787		4.4488	3.5907
H5	1.0856	2.0377	3.2842	4.4488		1.8650
H6	1.0920	2.1103	2.6583	3.5907	1.8650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.381	N2	C1	H5	117.766
N2	C1	H6	124.393	N2	C3	N4	173.106
H5	C1	H6	117.841

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

using model chemistry: TPSSh/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	-0.118
2	N	-0.512
3	C	0.581
4	N	-0.432
5	H	0.251
6	H	0.230

	x	y	z	Total
	0.769	-4.124	0.000	4.195
CHELPG
AIM
ESP

	x	y	z
x	2.973	0.249	0.000
y	0.249	8.000	0.000
z	0.000	0.000	1.631

<r²>	72.470
(<r²>)^1/2	8.513

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

using model chemistry: TPSSh/3-21G*

States and conformations

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