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	hartrees
Energy at 0K	-316.432788
Energy at 298.15K
HF Energy	-315.410973
Nuclear repulsion energy	211.684045

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'	3571	3385	142.52	422.52	0.30	0.46
2	A'	2211	2095	43.31	250.62	0.09	0.17
3	A'	2152	2039	466.11	13.85	0.30	0.47
4	A'	1341	1271	4.96	62.13	0.22	0.35
5	A'	773	733	571.42	22.35	0.54	0.70
6	A'	654	620	2.43	15.07	0.09	0.16
7	A'	580	550	0.36	0.13	0.50	0.67
8	A'	464	440	3.41	6.55	0.62	0.76
9	A'	418	397	29.28	2.23	0.21	0.34
10	A'	138	131	8.51	2.08	0.74	0.85
11	A'	132	125	4.55	7.31	0.73	0.84
12	A"	2214	2099	2.97	165.37	0.75	0.86
13	A"	1225	1161	0.68	12.42	0.75	0.86
14	A"	743	705	93.92	1.11	0.75	0.86
15	A"	625	592	2.15	0.39	0.75	0.86
16	A"	381	361	2.58	0.85	0.75	0.86
17	A"	374	354	3.94	4.59	0.75	0.86
18	A"	131	124	0.00	10.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.054	0.000
C2	-0.014	1.282	0.000
N3	0.162	2.477	0.000
C4	-0.014	-0.759	1.238
C5	-0.014	-0.759	-1.238
N6	-0.014	-1.339	2.258
N7	-0.014	-1.339	-2.258
H8	-0.603	3.147	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3361	2.5372	1.4247	1.4247	2.5980	2.5980	3.2541
C2	1.3361		1.2079	2.3876	2.3876	3.4598	3.4598	1.9551
N3	2.5372	1.2079		3.4697	3.4697	4.4379	4.4379	1.0164
C4	1.4247	2.3876	3.4697		2.4755	1.1733	3.5433	4.1395
C5	1.4247	2.3876	3.4697	2.4755		3.5433	1.1733	4.1395
N6	2.5980	3.4598	4.4379	1.1733	3.5433		4.5155	5.0564
N7	2.5980	3.4598	4.4379	3.5433	1.1733	4.5155		5.0564
H8	3.2541	1.9551	1.0164	4.1395	4.1395	5.0564	5.0564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	171.620	C1	C4	N6	179.934
C1	C5	N7	179.934	C2	C1	C4	119.684
C2	C1	C5	119.684	C2	N3	H8	122.805
C4	C1	C5	120.631

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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