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	hartrees
Energy at 0K	-311.790989
Energy at 298.15K
HF Energy	-311.243327
Nuclear repulsion energy	203.990798

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'	3566	3170	9.45	268.83	0.33	0.49
2	A'	2163	1923	28.52	120.66	0.18	0.31
3	A'	2083	1852	89.58	10.46	0.42	0.59
4	A'	1319	1172	1.90	23.18	0.31	0.47
5	A'	1036	921	324.40	66.48	0.50	0.66
6	A'	637	566	2.64	3.08	0.06	0.12
7	A'	583	518	0.18	1.15	0.22	0.37
8	A'	570	507	4.95	4.82	0.71	0.83
9	A'	391	347	19.54	2.96	0.39	0.56
10	A'	167	148	5.48	0.66	0.72	0.84
11	A'	131	116	4.57	4.06	0.73	0.84
12	A"	2125	1889	47.27	42.79	0.75	0.86
13	A"	1184	1052	0.00	2.38	0.75	0.86
14	A"	814	723	60.72	5.65	0.75	0.86
15	A"	613	545	0.08	0.03	0.75	0.86
16	A"	376	334	0.85	0.14	0.75	0.86
17	A"	357	317	3.68	2.87	0.75	0.86
18	A"	128	114	0.14	6.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.027	-0.027	0.000
C2	-0.027	1.325	0.000
N3	0.238	2.571	0.000
C4	-0.027	-0.779	1.273
C5	-0.027	-0.779	-1.273
N6	-0.027	-1.401	2.335
N7	-0.027	-1.401	-2.335
H8	-0.640	3.186	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3516	2.6114	1.4784	1.4784	2.7092	2.7092	3.2712
C2	1.3516		1.2742	2.4589	2.4589	3.5892	3.5892	1.9599
N3	2.6114	1.2742		3.5935	3.5935	4.6152	4.6152	1.0725
C4	1.4784	2.4589	3.5935		2.5455	1.2308	3.6607	4.2096
C5	1.4784	2.4589	3.5935	2.5455		3.6607	1.2308	4.2096
N6	2.7092	3.5892	4.6152	1.2308	3.6607		4.6693	5.1839
N7	2.7092	3.5892	4.6152	3.6607	1.2308	4.6693		5.1839
H8	3.2712	1.9599	1.0725	4.2096	4.2096	5.1839	5.1839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	167.972	C1	C4	N6	179.781
C1	C5	N7	179.781	C2	C1	C4	120.586
C2	C1	C5	120.586	C2	N3	H8	112.986
C4	C1	C5	118.829

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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