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	hartrees
Energy at 0K	-316.399404
Energy at 298.15K
HF Energy	-315.380849
Nuclear repulsion energy	210.972666

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'	3585	3407	130.56	415.49	0.32	0.48
2	A'	2200	2091	53.76	214.78	0.11	0.19
3	A'	2147	2041	418.47	7.14	0.49	0.66
4	A'	1332	1266	5.01	54.41	0.24	0.39
5	A'	833	792	605.44	19.99	0.57	0.73
6	A'	650	618	1.38	13.61	0.10	0.19
7	A'	579	550	0.14	0.23	0.75	0.85
8	A'	569	540	10.66	6.63	0.64	0.78
9	A'	440	418	34.23	2.17	0.35	0.52
10	A'	163	155	4.98	0.61	0.74	0.85
11	A'	133	126	7.57	7.81	0.73	0.84
12	A"	2205	2095	1.61	149.98	0.75	0.86
13	A"	1224	1163	0.59	8.96	0.75	0.86
14	A"	751	714	101.79	1.31	0.75	0.86
15	A"	626	595	2.48	0.36	0.75	0.86
16	A"	398	378	7.14	4.85	0.75	0.86
17	A"	386	367	0.05	0.41	0.75	0.86
18	A"	130	124	0.00	10.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.058	0.000
C2	-0.012	1.285	0.000
N3	0.151	2.485	0.000
C4	-0.012	-0.762	1.244
C5	-0.012	-0.762	-1.244
N6	-0.012	-1.340	2.269
N7	-0.012	-1.340	-2.269
H8	-0.613	3.155	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3425	2.5473	1.4293	1.4293	2.6064	2.6064	3.2682
C2	1.3425		1.2105	2.3952	2.3952	3.4699	3.4699	1.9643
N3	2.5473	1.2105		3.4804	3.4804	4.4502	4.4502	1.0163
C4	1.4293	2.3952	3.4804		2.4873	1.1771	3.5599	4.1533
C5	1.4293	2.3952	3.4804	2.4873		3.5599	1.1771	4.1533
N6	2.6064	3.4699	4.4502	1.1771	3.5599		4.5380	5.0711
N7	2.6064	3.4699	4.4502	3.5599	1.1771	4.5380		5.0711
H8	3.2682	1.9643	1.0163	4.1533	4.1533	5.0711	5.0711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.301	C1	C4	N6	179.895
C1	C5	N7	179.895	C2	C1	C4	119.528
C2	C1	C5	119.528	C2	N3	H8	123.558
C4	C1	C5	120.945

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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