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	hartrees
Energy at 0K	-43.617458
Energy at 298.15K	-43.623614
Nuclear repulsion energy	105.907392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3412	3064	0.00
2	A_g	1804	1620	0.00
3	A_g	1344	1207	0.00
4	A_g	1116	1002	0.00
5	A_g	647	581	0.00
6	A_u	1103	991	0.00
7	A_u	419	376	0.00
8	B_1g	1046	939	0.00
9	B_1u	3386	3040	8.66
10	B_1u	1639	1471	0.02
11	B_1u	1248	1121	14.99
12	B_1u	1106	993	30.45
13	B_2g	1082	971	0.00
14	B_2g	821	737	0.00
15	B_2u	3402	3055	105.84
16	B_2u	1549	1391	52.13
17	B_2u	1183	1062	0.46
18	B_2u	1130	1015	73.99
19	B_3g	3377	3033	0.00
20	B_3g	1735	1558	0.00
21	B_3g	1464	1315	0.00
22	B_3g	752	675	0.00
23	B_3u	894	803	42.29
24	B_3u	478	430	26.88

Atom	y (Å)	z (Å)
N1	0.000	1.410
N2	0.000	-1.410
C3	1.126	0.705
C4	-1.126	0.705
C5	-1.126	-0.705
C6	1.126	-0.705
H7	2.058	1.253
H8	-2.058	1.253
H9	-2.058	-1.253
H10	2.058	-1.253

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8196	1.3286	1.3286	2.3963	2.3963	2.0643	2.0643	3.3656	3.3656
N2	2.8196		2.3963	2.3963	1.3286	1.3286	3.3656	3.3656	2.0643	2.0643
C3	1.3286	2.3963		2.2528	2.6579	1.4106	1.0810	3.2315	3.7386	2.1687
C4	1.3286	2.3963	2.2528		1.4106	2.6579	3.2315	1.0810	2.1687	3.7386
C5	2.3963	1.3286	2.6579	1.4106		2.2528	3.7386	2.1687	1.0810	3.2315
C6	2.3963	1.3286	1.4106	2.6579	2.2528		2.1687	3.7386	3.2315	1.0810
H7	2.0643	3.3656	1.0810	3.2315	3.7386	2.1687		4.1166	4.8194	2.5060
H8	2.0643	3.3656	3.2315	1.0810	2.1687	3.7386	4.1166		2.5060	4.8194
H9	3.3656	2.0643	3.7386	2.1687	1.0810	3.2315	4.8194	2.5060		4.1166
H10	3.3656	2.0643	2.1687	3.7386	3.2315	1.0810	2.5060	4.8194	4.1166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.025	N1	C3	H7	117.530
N1	C4	C5	122.025	N1	C4	H8	117.530
N2	C5	C4	122.025	N2	C5	H9	117.530
N2	C6	C3	122.025	N2	C6	H10	117.530
C3	N1	C4	115.950	C3	C6	H10	120.445
C4	C5	H9	120.445	C5	N2	C6	115.950
C5	C4	H8	120.445	C6	C3	H7	120.445

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	N	0.204
2	N	0.204
3	C	-0.338
4	C	-0.338
5	C	-0.338
6	C	-0.338
7	H	0.236
8	H	0.236
9	H	0.236
10	H	0.236

<r²>	93.076
(<r²>)^1/2	9.648

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)