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	hartrees
Energy at 0K	-185.763508
Energy at 298.15K
HF Energy	-185.763508
Nuclear repulsion energy	91.772514

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'	3235	3089	9.86	85.47	0.55	0.71
2	A'	3108	2967	12.83	85.11	0.15	0.26
3	A'	2303	2198	20.11	131.94	0.32	0.49
4	A'	1701	1624	29.57	30.43	0.27	0.42
5	A'	1552	1481	10.53	30.00	0.45	0.62
6	A'	1236	1180	4.55	5.14	0.74	0.85
7	A'	933	891	4.37	1.80	0.05	0.10
8	A'	619	591	3.97	3.05	0.46	0.63
9	A'	261	249	7.63	9.10	0.53	0.69
10	A"	1120	1070	33.28	0.12	0.75	0.86
11	A"	804	768	1.23	10.01	0.75	0.86
12	A"	412	393	6.60	1.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.097	-1.589
N2	-0.564	-0.492
C3	0.000	0.722
N4	0.377	1.830
H5	-0.458	-2.520
H6	1.186	-1.649

	C1	N2	C3	N4	H5	H6
C1		1.2811	2.3129	3.4298	1.0842	1.0905
N2	1.2811		1.3386	2.5049	2.0311	2.0984
C3	2.3129	1.3386		1.1699	3.2743	2.6513
N4	3.4298	2.5049	1.1699		4.4291	3.5715
H5	1.0842	2.0311	3.2743	4.4291		1.8605
H6	1.0905	2.0984	2.6513	3.5715	1.8605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.978	N2	C1	H5	118.107
N2	C1	H6	124.258	N2	C3	N4	173.872
H5	C1	H6	117.634

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

using model chemistry: mPW1PW91/3-21G

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	-0.131
2	N	-0.525
3	C	0.589
4	N	-0.434
5	H	0.261
6	H	0.240

	x	y	z	Total
	0.774	-4.191	0.000	4.262
CHELPG
AIM
ESP

	x	y	z
x	2.921	0.261	0.000
y	0.261	7.779	0.000
z	0.000	0.000	1.616

<r²>	71.844
(<r²>)^1/2	8.476

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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