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	hartrees
Energy at 0K	-315.887123
Energy at 298.15K
HF Energy	-315.152721
Nuclear repulsion energy	208.025039

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	3398	136.78	494.67	0.31	0.48
2	A'	2146	2039	327.06	191.73	0.13	0.23
3	A'	2097	1992	100.71	50.61	0.10	0.18
4	A'	1312	1246	3.12	68.14	0.28	0.44
5	A'	804	764	790.24	20.78	0.72	0.84
6	A'	640	608	0.22	12.77	0.10	0.18
7	A'	606	576	2.61	10.98	0.72	0.84
8	A'	594	565	0.30	0.49	0.23	0.37
9	A'	392	373	14.14	1.63	0.46	0.63
10	A'	169	161	4.78	0.33	0.73	0.84
11	A'	137	130	6.99	8.98	0.73	0.84
12	A"	2126	2020	1.40	153.45	0.75	0.86
13	A"	1188	1129	0.40	7.20	0.75	0.86
14	A"	785	746	128.43	1.75	0.75	0.86
15	A"	635	603	2.90	0.27	0.75	0.86
16	A"	377	358	1.36	0.06	0.75	0.86
17	A"	336	320	5.24	7.12	0.75	0.86
18	A"	135	129	0.10	11.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	-0.049	0.000
C2	-0.021	1.307	0.000
N3	0.183	2.517	0.000
C4	-0.021	-0.771	1.248
C5	-0.021	-0.771	-1.248
N6	-0.021	-1.373	2.291
N7	-0.021	-1.373	-2.291
H8	-0.470	3.300	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3561	2.5746	1.4422	1.4422	2.6464	2.6464	3.3791
C2	1.3561		1.2275	2.4242	2.4242	3.5260	3.5260	2.0430
N3	2.5746	1.2275		3.5233	3.5233	4.5197	4.5197	1.0195
C4	1.4422	2.4242	3.5233		2.4970	1.2042	3.5907	4.2818
C5	1.4422	2.4242	3.5233	2.4970		3.5907	1.2042	4.2818
N6	2.6464	3.5260	4.5197	1.2042	3.5907		4.5828	5.2240
N7	2.6464	3.5260	4.5197	3.5907	1.2042	4.5828		5.2240
H8	3.3791	2.0430	1.0195	4.2818	4.2818	5.2240	5.2240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	170.411	C1	C4	N6	179.962
C1	C5	N7	179.962	C2	C1	C4	120.036
C2	C1	C5	120.036	C2	N3	H8	130.565
C4	C1	C5	119.929

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

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

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