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	hartrees
Energy at 0K	-316.734342
Energy at 298.15K
HF Energy	-315.428081
Nuclear repulsion energy	212.765063

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'	3580	3406	177.89	377.47	0.28	0.43
2	A'	2222	2114	53.12	291.06	0.08	0.15
3	A'	2167	2061	504.76	4.32	0.48	0.65
4	A'	1346	1281	3.02	56.92	0.20	0.34
5	A'	782	744	524.86	19.43	0.33	0.49
6	A'	660	628	2.79	20.27	0.06	0.11
7	A'	590	562	19.66	4.19	0.48	0.64
8	A'	577	549	0.77	1.10	0.51	0.67
9	A'	447	425	40.56	2.51	0.26	0.42
10	A'	172	163	6.42	0.45	0.71	0.83
11	A'	129	123	9.28	6.65	0.72	0.84
12	A"	2228	2120	7.36	178.99	0.75	0.86
13	A"	1242	1181	0.28	11.24	0.75	0.86
14	A"	741	705	79.04	0.69	0.75	0.86
15	A"	624	594	2.98	0.23	0.75	0.86
16	A"	403	384	5.84	2.06	0.75	0.86
17	A"	380	361	0.35	0.12	0.75	0.86
18	A"	126	120	0.00	8.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.063	0.000
C2	-0.010	1.269	0.000
N3	0.141	2.461	0.000
C4	-0.010	-0.755	1.234
C5	-0.010	-0.755	-1.234
N6	-0.010	-1.323	2.255
N7	-0.010	-1.323	-2.255
H8	-0.619	3.131	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3317	2.5278	1.4147	1.4147	2.5833	2.5833	3.2512
C2	1.3317		1.2011	2.3706	2.3706	3.4358	3.4358	1.9590
N3	2.5278	1.2011		3.4478	3.4478	4.4075	4.4075	1.0129
C4	1.4147	2.3706	3.4478		2.4670	1.1686	3.5342	4.1227
C5	1.4147	2.3706	3.4478	2.4670		3.5342	1.1686	4.1227
N6	2.5833	3.4358	4.4075	1.1686	3.5342		4.5095	5.0296
N7	2.5833	3.4358	4.4075	3.5342	1.1686	4.5095		5.0296
H8	3.2512	1.9590	1.0129	4.1227	4.1227	5.0296	5.0296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.807	C1	C4	N6	179.762
C1	C5	N7	179.762	C2	C1	C4	119.320
C2	C1	C5	119.320	C2	N3	H8	124.250
C4	C1	C5	121.360

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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