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	hartrees
Energy at 0K	-316.327874
Energy at 298.15K
HF Energy	-315.337739
Nuclear repulsion energy	209.556924

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'	3546	3370	124.06	459.87	0.31	0.47
2	A'	2196	2087	51.93	210.43	0.11	0.19
3	A'	2138	2032	378.89	10.40	0.55	0.71
4	A'	1337	1271	7.10	48.63	0.25	0.40
5	A'	847	805	493.03	23.91	0.54	0.70
6	A'	653	620	1.08	13.66	0.10	0.19
7	A'	574	546	0.16	0.26	0.74	0.85
8	A'	568	540	11.96	6.79	0.62	0.76
9	A'	425	404	35.89	3.03	0.32	0.49
10	A'	166	157	4.87	0.58	0.73	0.84
11	A'	131	124	6.96	7.19	0.73	0.84
12	A"	2201	2092	0.64	141.30	0.75	0.86
13	A"	1230	1169	0.94	7.64	0.75	0.86
14	A"	739	702	82.86	2.01	0.75	0.86
15	A"	618	588	1.99	0.16	0.75	0.86
16	A"	389	369	6.15	3.90	0.75	0.86
17	A"	377	358	0.01	0.40	0.75	0.86
18	A"	128	122	0.00	9.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.056	0.000
C2	-0.011	1.293	0.000
N3	0.155	2.505	0.000
C4	-0.011	-0.765	1.250
C5	-0.011	-0.765	-1.250
N6	-0.011	-1.350	2.283
N7	-0.011	-1.350	-2.283
H8	-0.656	3.134	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3498	2.5664	1.4367	1.4367	2.6243	2.6243	3.2545
C2	1.3498		1.2226	2.4083	2.4083	3.4931	3.4931	1.9499
N3	2.5664	1.2226		3.5046	3.5046	4.4834	4.4834	1.0263
C4	1.4367	2.4083	3.5046		2.4992	1.1876	3.5808	4.1448
C5	1.4367	2.4083	3.5046	2.4992		3.5808	1.1876	4.1448
N6	2.6243	3.4931	4.4834	1.1876	3.5808		4.5663	5.0728
N7	2.6243	3.4931	4.4834	3.5808	1.1876	4.5663		5.0728
H8	3.2545	1.9499	1.0263	4.1448	4.1448	5.0728	5.0728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.195	C1	C4	N6	179.936
C1	C5	N7	179.936	C2	C1	C4	119.570
C2	C1	C5	119.570	C2	N3	H8	119.982
C4	C1	C5	120.860

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)

using model chemistry: MP2=FULL/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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All results from a given calculation for HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)