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	hartrees
Energy at 0K	-51.948276
Energy at 298.15K
HF Energy	-51.285739
Nuclear repulsion energy	97.507449

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'	3555	3436	110.19	512.27	0.31	0.48
2	A'	2087	2016	312.45	300.59	0.14	0.25
3	A'	2016	1948	109.41	72.73	0.07	0.12
4	A'	1277	1234	5.91	68.85	0.28	0.44
5	A'	766	740	840.84	37.37	0.58	0.73
6	A'	619	598	1.07	16.33	0.07	0.14
7	A'	568	549	2.91	18.66	0.69	0.82
8	A'	564	545	0.03	0.49	0.14	0.24
9	A'	399	385	9.69	1.59	0.12	0.21
10	A'	168	163	2.93	1.09	0.75	0.85
11	A'	129	125	6.16	8.88	0.73	0.84
12	A"	2057	1988	0.05	198.45	0.75	0.86
13	A"	1167	1128	1.88	7.36	0.75	0.86
14	A"	766	740	125.44	1.78	0.75	0.86
15	A"	601	581	2.12	0.07	0.75	0.86
16	A"	366	353	3.79	1.75	0.75	0.86
17	A"	357	345	2.32	3.79	0.75	0.86
18	A"	128	123	0.08	11.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.025	-0.049	0.000
C2	-0.025	1.339	0.000
N3	0.202	2.571	0.000
C4	-0.025	-0.787	1.276
C5	-0.025	-0.787	-1.276
N6	-0.025	-1.403	2.340
N7	-0.025	-1.403	-2.340
H8	-0.475	3.348	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3877	2.6299	1.4738	1.4738	2.7039	2.7039	3.4264
C2	1.3877		1.2531	2.4791	2.4791	3.6050	3.6050	2.0588
N3	2.6299	1.2531		3.5994	3.5994	4.6180	4.6180	1.0305
C4	1.4738	2.4791	3.5994		2.5513	1.2301	3.6679	4.3504
C5	1.4738	2.4791	3.5994	2.5513		3.6679	1.2301	4.3504
N6	2.7039	3.6050	4.6180	1.2301	3.6679		4.6802	5.3154
N7	2.7039	3.6050	4.6180	3.6679	1.2301	4.6802		5.3154
H8	3.4264	2.0588	1.0305	4.3504	4.3504	5.3154	5.3154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	169.556	C1	C4	N6	179.975
C1	C5	N7	179.975	C2	C1	C4	120.054
C2	C1	C5	120.054	C2	N3	H8	128.460
C4	C1	C5	119.893

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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