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	hartrees
Energy at 0K	-316.540022
Energy at 298.15K
HF Energy	-315.385583
Nuclear repulsion energy	211.164348

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'	3577	3393	137.44	415.86	0.31	0.47
2	A'	2206	2092	49.06	213.43	0.11	0.19
3	A'	2149	2038	421.43	9.00	0.46	0.63
4	A'	1336	1267	5.01	52.84	0.24	0.39
5	A'	815	773	530.74	21.68	0.57	0.72
6	A'	652	618	1.38	13.56	0.11	0.19
7	A'	581	551	0.28	0.35	0.74	0.85
8	A'	575	546	14.18	6.81	0.61	0.76
9	A'	437	414	39.89	2.75	0.34	0.51
10	A'	165	157	5.27	0.56	0.73	0.85
11	A'	134	127	7.55	7.73	0.73	0.85
12	A"	2211	2097	1.28	148.04	0.75	0.86
13	A"	1228	1165	0.65	8.69	0.75	0.86
14	A"	744	706	88.62	1.41	0.75	0.86
15	A"	627	594	2.42	0.35	0.75	0.86
16	A"	401	380	6.72	5.00	0.75	0.86
17	A"	388	368	0.11	0.35	0.75	0.86
18	A"	130	124	0.00	9.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.057	0.000
C2	-0.010	1.284	0.000
N3	0.147	2.485	0.000
C4	-0.010	-0.761	1.242
C5	-0.010	-0.761	-1.242
N6	-0.010	-1.339	2.266
N7	-0.010	-1.339	-2.266
H8	-0.643	3.127	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3403	2.5462	1.4279	1.4279	2.6041	2.6041	3.2456
C2	1.3403		1.2113	2.3923	2.3923	3.4665	3.4665	1.9487
N3	2.5462	1.2113		3.4787	3.4787	4.4480	4.4480	1.0179
C4	1.4279	2.3923	3.4787		2.4843	1.1762	3.5557	4.1299
C5	1.4279	2.3923	3.4787	2.4843		3.5557	1.1762	4.1299
N6	2.6041	3.4665	4.4480	1.1762	3.5557		4.5324	5.0480
N7	2.6041	3.4665	4.4480	3.5557	1.1762	4.5324		5.0480
H8	3.2456	1.9487	1.0179	4.1299	4.1299	5.0480	5.0480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.566	C1	C4	N6	179.920
C1	C5	N7	179.920	C2	C1	C4	119.549
C2	C1	C5	119.549	C2	N3	H8	121.656
C4	C1	C5	120.902

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)