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	hartrees
Energy at 0K	-316.599929
Energy at 298.15K
HF Energy	-315.434295
Nuclear repulsion energy	211.694383

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'	3574	3401	169.04	388.98	0.29	0.45
2	A'	2201	2094	40.87	246.52	0.10	0.18
3	A'	2146	2041	478.33	8.02	0.33	0.50
4	A'	1335	1270	3.43	56.68	0.22	0.36
5	A'	807	768	537.48	17.59	0.48	0.64
6	A'	653	621	1.41	16.88	0.07	0.14
7	A'	583	555	13.39	4.51	0.56	0.72
8	A'	578	550	1.86	0.98	0.47	0.64
9	A'	440	419	36.22	2.31	0.32	0.48
10	A'	171	163	6.24	0.41	0.72	0.83
11	A'	131	125	8.65	7.45	0.73	0.84
12	A"	2206	2099	3.84	166.47	0.75	0.86
13	A"	1227	1167	0.44	10.29	0.75	0.86
14	A"	739	703	81.95	0.87	0.75	0.86
15	A"	624	594	3.07	0.31	0.75	0.86
16	A"	394	375	6.00	3.36	0.75	0.86
17	A"	381	362	0.18	0.25	0.75	0.86
18	A"	129	122	0.01	9.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.058	0.000
C2	-0.010	1.280	0.000
N3	0.145	2.476	0.000
C4	-0.010	-0.760	1.240
C5	-0.010	-0.760	-1.240
N6	-0.010	-1.335	2.262
N7	-0.010	-1.335	-2.262
H8	-0.623	3.138	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3383	2.5391	1.4248	1.4248	2.5974	2.5974	3.2548
C2	1.3383		1.2061	2.3871	2.3871	3.4575	3.4575	1.9567
N3	2.5391	1.2061		3.4687	3.4687	4.4344	4.4344	1.0145
C4	1.4248	2.3871	3.4687		2.4804	1.1726	3.5491	4.1361
C5	1.4248	2.3871	3.4687	2.4804		3.5491	1.1726	4.1361
N6	2.5974	3.4575	4.4344	1.1726	3.5491		4.5239	5.0499
N7	2.5974	3.4575	4.4344	3.5491	1.1726	4.5239		5.0499
H8	3.2548	1.9567	1.0145	4.1361	4.1361	5.0499	5.0499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.578	C1	C4	N6	179.898
C1	C5	N7	179.898	C2	C1	C4	119.487
C2	C1	C5	119.487	C2	N3	H8	123.333
C4	C1	C5	121.027

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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