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	hartrees
Energy at 0K	-263.529285
Energy at 298.15K	-263.535152
HF Energy	-262.679676
Nuclear repulsion energy	208.089111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3222	3069	0.00
2	A_g	1674	1594	0.00
3	A_g	1282	1221	0.00
4	A_g	1055	1004	0.00
5	A_g	612	583	0.00
6	A_u	977	931	0.00
7	A_u	353	336	0.00
8	B_1g	948	903	0.00
9	B_1u	3202	3049	7.60
10	B_1u	1549	1475	2.87
11	B_1u	1182	1126	4.35
12	B_1u	1047	997	34.96
13	B_2g	959	914	0.00
14	B_2g	754	718	0.00
15	B_2u	3217	3063	58.65
16	B_2u	1472	1401	35.30
17	B_2u	1151	1096	14.22
18	B_2u	1117	1064	17.57
19	B_3g	3201	3048	0.00
20	B_3g	1619	1542	0.00
21	B_3g	1398	1331	0.00
22	B_3g	722	688	0.00
23	B_3u	808	769	27.12
24	B_3u	430	409	23.84

Atom	y (Å)	z (Å)
N1	0.000	1.416
N2	0.000	-1.416
C3	1.134	0.699
C4	-1.134	0.699
C5	-1.134	-0.699
C6	1.134	-0.699
H7	2.069	1.258
H8	-2.069	1.258
H9	-2.069	-1.258
H10	2.069	-1.258

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8310	1.3415	1.3415	2.3990	2.3990	2.0748	2.0748	3.3802	3.3802
N2	2.8310		2.3990	2.3990	1.3415	1.3415	3.3802	3.3802	2.0748	2.0748
C3	1.3415	2.3990		2.2678	2.6637	1.3973	1.0893	3.2511	3.7529	2.1682
C4	1.3415	2.3990	2.2678		1.3973	2.6637	3.2511	1.0893	2.1682	3.7529
C5	2.3990	1.3415	2.6637	1.3973		2.2678	3.7529	2.1682	1.0893	3.2511
C6	2.3990	1.3415	1.3973	2.6637	2.2678		2.1682	3.7529	3.2511	1.0893
H7	2.0748	3.3802	1.0893	3.2511	3.7529	2.1682		4.1375	4.8421	2.5153
H8	2.0748	3.3802	3.2511	1.0893	2.1682	3.7529	4.1375		2.5153	4.8421
H9	3.3802	2.0748	3.7529	2.1682	1.0893	3.2511	4.8421	2.5153		4.1375
H10	3.3802	2.0748	2.1682	3.7529	3.2511	1.0893	2.5153	4.8421	4.1375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.302	N1	C3	H7	116.822
N1	C4	C5	122.302	N1	C4	H8	116.822
N2	C5	C4	122.302	N2	C5	H9	116.822
N2	C6	C3	122.302	N2	C6	H10	116.822
C3	N1	C4	115.396	C3	C6	H10	120.876
C4	C5	H9	120.876	C5	N2	C6	115.396
C5	C4	H8	120.876	C6	C3	H7	120.876

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)