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	hartrees
Energy at 0K	-263.519941
Energy at 298.15K	-263.525840
HF Energy	-262.680228
Nuclear repulsion energy	208.380821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3233	3060	0.00
2	A_g	1687	1597	0.00
3	A_g	1288	1219	0.00
4	A_g	1064	1007	0.00
5	A_g	615	582	0.00
6	A_u	980	928	0.00
7	A_u	365	345	0.00
8	B_1g	951	900	0.00
9	B_1u	3212	3041	6.61
10	B_1u	1558	1475	2.89
11	B_1u	1190	1127	4.33
12	B_1u	1057	1000	37.45
13	B_2g	961	909	0.00
14	B_2g	756	716	0.00
15	B_2u	3227	3055	53.26
16	B_2u	1479	1400	36.59
17	B_2u	1178	1115	13.51
18	B_2u	1125	1064	15.10
19	B_3g	3211	3040	0.00
20	B_3g	1634	1547	0.00
21	B_3g	1403	1328	0.00
22	B_3g	727	688	0.00
23	B_3u	810	767	27.22
24	B_3u	434	410	24.34

Atom	y (Å)	z (Å)
N1	0.000	1.413
N2	0.000	-1.413
C3	1.132	0.698
C4	-1.132	0.698
C5	-1.132	-0.698
C6	1.132	-0.698
H7	2.067	1.256
H8	-2.067	1.256
H9	-2.067	-1.256
H10	2.067	-1.256

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8261	1.3393	1.3393	2.3953	2.3953	2.0727	2.0727	3.3760	3.3760
N2	2.8261		2.3953	2.3953	1.3393	1.3393	3.3760	3.3760	2.0727	2.0727
C3	1.3393	2.3953		2.2646	2.6600	1.3955	1.0887	3.2475	3.7487	2.1661
C4	1.3393	2.3953	2.2646		1.3955	2.6600	3.2475	1.0887	2.1661	3.7487
C5	2.3953	1.3393	2.6600	1.3955		2.2646	3.7487	2.1661	1.0887	3.2475
C6	2.3953	1.3393	1.3955	2.6600	2.2646		2.1661	3.7487	3.2475	1.0887
H7	2.0727	3.3760	1.0887	3.2475	3.7487	2.1661		4.1336	4.8374	2.5127
H8	2.0727	3.3760	3.2475	1.0887	2.1661	3.7487	4.1336		2.5127	4.8374
H9	3.3760	2.0727	3.7487	2.1661	1.0887	3.2475	4.8374	2.5127		4.1336
H10	3.3760	2.0727	2.1661	3.7487	3.2475	1.0887	2.5127	4.8374	4.1336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.281	N1	C3	H7	116.849
N1	C4	C5	122.281	N1	C4	H8	116.849
N2	C5	C4	122.281	N2	C5	H9	116.849
N2	C6	C3	122.281	N2	C6	H10	116.849
C3	N1	C4	115.438	C3	C6	H10	120.870
C4	C5	H9	120.870	C5	N2	C6	115.438
C5	C4	H8	120.870	C6	C3	H7	120.870

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: CCD/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 C4H4N2 (Pyrazine)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)