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	hartrees
Energy at 0K	-316.530840
Energy at 298.15K
HF Energy	-315.381435
Nuclear repulsion energy	211.180113

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'	3589	3399	132.82	413.28	0.32	0.48
2	A'	2206	2089	55.77	214.72	0.11	0.19
3	A'	2153	2040	420.66	6.61	0.50	0.67
4	A'	1337	1266	4.90	54.30	0.24	0.39
5	A'	832	788	605.36	19.43	0.58	0.73
6	A'	652	618	1.48	13.64	0.11	0.19
7	A'	582	551	0.83	0.83	0.72	0.84
8	A'	577	547	10.85	5.95	0.63	0.77
9	A'	444	420	35.16	2.16	0.35	0.52
10	A'	165	156	4.97	0.60	0.74	0.85
11	A'	133	126	7.60	7.80	0.73	0.84
12	A"	2211	2094	1.76	150.17	0.75	0.86
13	A"	1229	1164	0.53	8.91	0.75	0.86
14	A"	752	712	101.73	1.27	0.75	0.86
15	A"	628	595	2.62	0.38	0.75	0.86
16	A"	402	381	7.19	4.91	0.75	0.86
17	A"	389	368	0.12	0.33	0.75	0.86
18	A"	131	124	0.00	10.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.058	0.000
C2	-0.011	1.284	0.000
N3	0.149	2.482	0.000
C4	-0.011	-0.761	1.242
C5	-0.011	-0.761	-1.242
N6	-0.011	-1.339	2.267
N7	-0.011	-1.339	-2.267
H8	-0.615	3.153	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3412	2.5450	1.4275	1.4275	2.6037	2.6037	3.2667
C2	1.3412		1.2094	2.3925	2.3925	3.4664	3.4664	1.9642
N3	2.5450	1.2094		3.4770	3.4770	4.4460	4.4460	1.0160
C4	1.4275	2.3925	3.4770		2.4842	1.1762	3.5559	4.1505
C5	1.4275	2.3925	3.4770	2.4842		3.5559	1.1762	4.1505
N6	2.6037	3.4664	4.4460	1.1762	3.5559		4.5331	5.0674
N7	2.6037	3.4664	4.4460	3.5559	1.1762	4.5331		5.0674
H8	3.2667	1.9642	1.0160	4.1505	4.1505	5.0674	5.0674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.396	C1	C4	N6	179.894
C1	C5	N7	179.894	C2	C1	C4	119.531
C2	C1	C5	119.531	C2	N3	H8	123.688
C4	C1	C5	120.938

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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