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	hartrees
Energy at 0K	-316.311488
Energy at 298.15K
HF Energy	-315.337182
Nuclear repulsion energy	209.382680

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'	3541	3372	122.16	462.41	0.31	0.47
2	A'	2192	2088	49.61	210.46	0.11	0.19
3	A'	2133	2032	378.19	11.15	0.53	0.70
4	A'	1334	1271	7.22	48.65	0.25	0.40
5	A'	849	808	491.28	24.42	0.53	0.70
6	A'	651	621	1.03	13.64	0.10	0.19
7	A'	573	546	0.11	0.20	0.69	0.82
8	A'	564	538	11.45	6.89	0.62	0.77
9	A'	424	403	35.29	3.06	0.32	0.49
10	A'	165	157	4.87	0.58	0.73	0.84
11	A'	130	124	6.95	7.20	0.73	0.84
12	A"	2197	2093	0.56	141.20	0.75	0.86
13	A"	1227	1168	1.00	7.67	0.75	0.86
14	A"	738	703	82.80	2.06	0.75	0.86
15	A"	617	588	1.96	0.16	0.75	0.86
16	A"	387	368	6.12	3.89	0.75	0.86
17	A"	376	358	0.00	0.44	0.75	0.86
18	A"	128	122	0.00	9.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.056	0.000
C2	-0.011	1.295	0.000
N3	0.156	2.507	0.000
C4	-0.011	-0.766	1.251
C5	-0.011	-0.766	-1.251
N6	-0.011	-1.351	2.285
N7	-0.011	-1.351	-2.285
H8	-0.657	3.135	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3509	2.5684	1.4382	1.4382	2.6265	2.6265	3.2557
C2	1.3509		1.2236	2.4106	2.4106	3.4961	3.4961	1.9500
N3	2.5684	1.2236		3.5076	3.5076	4.4871	4.4871	1.0272
C4	1.4382	2.4106	3.5076		2.5018	1.1883	3.5841	4.1470
C5	1.4382	2.4106	3.5076	2.5018		3.5841	1.1883	4.1470
N6	2.6265	3.4961	4.4871	1.1883	3.5841		4.5702	5.0758
N7	2.6265	3.4961	4.4871	3.5841	1.1883	4.5702		5.0758
H8	3.2557	1.9500	1.0272	4.1470	4.1470	5.0758	5.0758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.132	C1	C4	N6	179.936
C1	C5	N7	179.936	C2	C1	C4	119.570
C2	C1	C5	119.570	C2	N3	H8	119.833
C4	C1	C5	120.859

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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