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	hartrees
Energy at 0K	-52.394201
Energy at 298.15K
HF Energy	-51.457249
Nuclear repulsion energy	99.162587

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'	3533	3355	111.58	404.00	0.31	0.48
2	A'	2182	2071	74.27	274.71	0.10	0.19
3	A'	2121	2014	377.50	13.59	0.63	0.78
4	A'	1325	1258	12.00	53.44	0.24	0.38
5	A'	862	818	548.69	38.57	0.51	0.67
6	A'	645	613	0.52	15.26	0.10	0.18
7	A'	556	528	0.50	0.23	0.66	0.80
8	A'	504	478	4.61	10.69	0.65	0.79
9	A'	410	389	25.20	3.16	0.21	0.35
10	A'	145	137	4.41	1.17	0.75	0.86
11	A'	125	119	6.48	8.10	0.73	0.84
12	A"	2187	2076	2.17	174.62	0.75	0.86
13	A"	1223	1161	2.68	10.14	0.75	0.86
14	A"	738	701	98.05	1.83	0.75	0.86
15	A"	601	571	1.65	0.04	0.75	0.86
16	A"	373	355	6.31	3.86	0.75	0.86
17	A"	360	341	0.08	0.64	0.75	0.86
18	A"	123	117	0.00	10.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.057	0.000
C2	-0.017	1.311	0.000
N3	0.182	2.532	0.000
C4	-0.017	-0.775	1.263
C5	-0.017	-0.775	-1.263
N6	-0.017	-1.367	2.310
N7	-0.017	-1.367	-2.310
H8	-0.616	3.182	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3674	2.5961	1.4527	1.4527	2.6560	2.6560	3.2935
C2	1.3674		1.2373	2.4380	2.4380	3.5366	3.5366	1.9648
N3	2.5961	1.2373		3.5450	3.5450	4.5362	4.5362	1.0299
C4	1.4527	2.4380	3.5450		2.5259	1.2032	3.6220	4.1962
C5	1.4527	2.4380	3.5450	2.5259		3.6220	1.2032	4.1962
N6	2.6560	3.5366	4.5362	1.2032	3.6220		4.6205	5.1370
N7	2.6560	3.5366	4.5362	3.6220	1.2032	4.6205		5.1370
H8	3.2935	1.9648	1.0299	4.1962	4.1962	5.1370	5.1370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	170.713	C1	C4	N6	179.878
C1	C5	N7	179.878	C2	C1	C4	119.616
C2	C1	C5	119.616	C2	N3	H8	119.855
C4	C1	C5	120.769

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)