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	hartrees
Energy at 0K	-316.531815
Energy at 298.15K
HF Energy	-315.347566
Nuclear repulsion energy	212.405427

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'	3628	3410	183.17	370.98	0.31	0.47
2	A'	2242	2108	58.40	202.87	0.11	0.19
3	A'	2195	2063	429.57	3.29	0.58	0.74
4	A'	1347	1266	1.32	52.55	0.24	0.39
5	A'	779	733	494.97	13.86	0.58	0.73
6	A'	690	649	71.95	4.34	0.53	0.69
7	A'	660	621	0.74	13.84	0.09	0.17
8	A'	588	553	0.21	0.28	0.53	0.69
9	A'	484	455	58.27	2.45	0.39	0.56
10	A'	184	173	6.78	0.50	0.73	0.84
11	A'	138	130	8.81	7.07	0.73	0.84
12	A"	2247	2112	3.99	144.84	0.75	0.86
13	A"	1239	1165	0.17	8.09	0.75	0.86
14	A"	753	708	84.27	1.02	0.75	0.86
15	A"	634	596	3.09	0.36	0.75	0.86
16	A"	467	439	7.58	3.47	0.75	0.86
17	A"	420	395	0.78	0.11	0.75	0.86
18	A"	134	126	0.01	9.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.060	0.000
C2	-0.005	1.273	0.000
N3	0.119	2.468	0.000
C4	-0.005	-0.756	1.235
C5	-0.005	-0.756	-1.235
N6	-0.005	-1.329	2.256
N7	-0.005	-1.329	-2.256
H8	-0.645	3.133	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3331	2.5310	1.4173	1.4173	2.5887	2.5887	3.2564
C2	1.3331		1.2013	2.3753	2.3753	3.4442	3.4442	1.9669
N3	2.5310	1.2013		3.4546	3.4546	4.4187	4.4187	1.0131
C4	1.4173	2.3753	3.4546		2.4691	1.1714	3.5374	4.1302
C5	1.4173	2.3753	3.4546	2.4691		3.5374	1.1714	4.1302
N6	2.5887	3.4442	4.4187	1.1714	3.5374		4.5122	5.0410
N7	2.5887	3.4442	4.4187	3.5374	1.1714	4.5122		5.0410
H8	3.2564	1.9669	1.0131	4.1302	4.1302	5.0410	5.0410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.067	C1	C4	N6	179.877
C1	C5	N7	179.877	C2	C1	C4	119.419
C2	C1	C5	119.419	C2	N3	H8	125.088
C4	C1	C5	121.161

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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