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	hartrees
Energy at 0K	-52.474601
Energy at 298.15K
HF Energy	-51.487143
Nuclear repulsion energy	100.136669

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'	3522	3356	105.54	436.79	0.31	0.47
2	A'	2142	2041	49.32	262.61	0.10	0.17
3	A'	2084	1985	395.38	15.66	0.49	0.65
4	A'	1310	1248	8.79	55.08	0.22	0.37
5	A'	865	825	555.62	28.47	0.51	0.68
6	A'	638	608	0.66	15.25	0.09	0.16
7	A'	561	535	0.53	0.15	0.70	0.82
8	A'	523	499	3.95	8.38	0.62	0.76
9	A'	413	394	27.24	2.60	0.23	0.38
10	A'	159	151	5.22	0.67	0.73	0.85
11	A'	127	121	7.00	8.19	0.73	0.84
12	A"	2147	2046	0.97	167.33	0.75	0.86
13	A"	1204	1147	2.16	10.67	0.75	0.86
14	A"	745	710	99.15	1.61	0.75	0.86
15	A"	607	579	1.74	0.16	0.75	0.86
16	A"	370	353	6.10	3.98	0.75	0.86
17	A"	361	344	0.26	1.15	0.75	0.86
18	A"	126	120	0.00	10.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.054	0.000
C2	-0.018	1.296	0.000
N3	0.182	2.507	0.000
C4	-0.018	-0.767	1.252
C5	-0.018	-0.767	-1.252
N6	-0.018	-1.354	2.287
N7	-0.018	-1.354	-2.287
H8	-0.607	3.161	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3504	2.5686	1.4410	1.4410	2.6304	2.6304	3.2684
C2	1.3504		1.2267	2.4137	2.4137	3.5003	3.5003	1.9554
N3	2.5686	1.2267		3.5108	3.5108	4.4914	4.4914	1.0249
C4	1.4410	2.4137	3.5108		2.5045	1.1894	3.5874	4.1646
C5	1.4410	2.4137	3.5108	2.5045		3.5874	1.1894	4.1646
N6	2.6304	3.5003	4.4914	1.1894	3.5874		4.5738	5.0948
N7	2.6304	3.5003	4.4914	3.5874	1.1894	4.5738		5.0948
H8	3.2684	1.9554	1.0249	4.1646	4.1646	5.0948	5.0948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	170.646	C1	C4	N6	179.892
C1	C5	N7	179.892	C2	C1	C4	119.659
C2	C1	C5	119.659	C2	N3	H8	120.295
C4	C1	C5	120.683

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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