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	hartrees
Energy at 0K	-185.777676
Energy at 298.15K
HF Energy	-185.777676
Nuclear repulsion energy	93.260639

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'	3369	3072	4.58	72.11	0.59	0.74
2	A'	3249	2963	16.04	83.66	0.08	0.16
3	A'	2566	2340	106.09	197.55	0.19	0.32
4	A'	1865	1700	77.30	68.99	0.18	0.31
5	A'	1605	1463	33.28	21.63	0.36	0.53
6	A'	1326	1210	12.55	1.95	0.73	0.84
7	A'	1010	921	5.82	2.25	0.08	0.15
8	A'	710	648	6.57	2.71	0.10	0.17
9	A'	285	260	7.92	7.26	0.47	0.64
10	A"	1245	1135	15.50	1.85	0.75	0.86
11	A"	838	764	3.12	3.24	0.75	0.86
12	A"	433	395	12.02	0.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.069	-1.525
N2	-0.636	-0.480
C3	0.000	0.713
N4	0.474	1.747
H5	-0.437	-2.481
H6	1.155	-1.518

	C1	N2	C3	N4	H5	H6
C1		1.2604	2.2384	3.2972	1.0818	1.0861
N2	1.2604		1.3517	2.4889	2.0107	2.0700
C3	2.2384	1.3517		1.1384	3.2233	2.5115
N4	3.2972	2.4889	1.1384		4.3254	3.3352
H5	1.0818	2.0107	3.2233	4.3254		1.8609
H6	1.0861	2.0700	2.5115	3.3352	1.8609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.908	N2	C1	H5	118.092
N2	C1	H6	123.639	N2	C3	N4	176.555
H5	C1	H6	118.268

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

using model chemistry: HF/daug-cc-pVDZ

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	0.906
2	N	0.526
3	C	0.153
4	N	-0.528
5	H	-0.527
6	H	-0.530

	x	y	z	Total
	0.477	-4.972	0.000	4.994
CHELPG
AIM
ESP

	x	y	z
x	4.382	0.261	0.000
y	0.261	8.016	0.000
z	0.000	0.000	3.529

<r²>	69.233
(<r²>)^1/2	8.321

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

using model chemistry: HF/daug-cc-pVDZ

States and conformations

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