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	hartrees
Energy at 0K	-263.376192
Energy at 298.15K	-263.382251
HF Energy	-262.682508
Nuclear repulsion energy	209.958522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3333	3086	0.00
2	A_g	1750	1621	0.00
3	A_g	1327	1228	0.00
4	A_g	1104	1022	0.00
5	A_g	633	586	0.00
6	A_u	1051	973	0.00
7	A_u	390	361	0.00
8	B_1g	1002	928	0.00
9	B_1u	3311	3065	6.11
10	B_1u	1614	1494	2.17
11	B_1u	1229	1138	7.28
12	B_1u	1085	1004	38.18
13	B_2g	1029	953	0.00
14	B_2g	796	737	0.00
15	B_2u	3327	3080	55.31
16	B_2u	1526	1413	41.88
17	B_2u	1202	1113	9.93
18	B_2u	1152	1067	29.06
19	B_3g	3310	3064	0.00
20	B_3g	1708	1581	0.00
21	B_3g	1449	1342	0.00
22	B_3g	751	696	0.00
23	B_3u	855	792	26.93
24	B_3u	458	424	26.62

Atom	y (Å)	z (Å)
N1	0.000	1.398
N2	0.000	-1.398
C3	1.126	0.694
C4	-1.126	0.694
C5	-1.126	-0.694
C6	1.126	-0.694
H7	2.053	1.249
H8	-2.053	1.249
H9	-2.053	-1.249
H10	2.053	-1.249

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7960	1.3276	1.3276	2.3757	2.3757	2.0580	2.0580	3.3499	3.3499
N2	2.7960		2.3757	2.3757	1.3276	1.3276	3.3499	3.3499	2.0580	2.0580
C3	1.3276	2.3757		2.2513	2.6448	1.3881	1.0806	3.2264	3.7253	2.1531
C4	1.3276	2.3757	2.2513		1.3881	2.6448	3.2264	1.0806	2.1531	3.7253
C5	2.3757	1.3276	2.6448	1.3881		2.2513	3.7253	2.1531	1.0806	3.2264
C6	2.3757	1.3276	1.3881	2.6448	2.2513		2.1531	3.7253	3.2264	1.0806
H7	2.0580	3.3499	1.0806	3.2264	3.7253	2.1531		4.1053	4.8058	2.4986
H8	2.0580	3.3499	3.2264	1.0806	2.1531	3.7253	4.1053		2.4986	4.8058
H9	3.3499	2.0580	3.7253	2.1531	1.0806	3.2264	4.8058	2.4986		4.1053
H10	3.3499	2.0580	2.1531	3.7253	3.2264	1.0806	2.4986	4.8058	4.1053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.021	N1	C3	H7	117.058
N1	C4	C5	122.021	N1	C4	H8	117.058
N2	C5	C4	122.021	N2	C5	H9	117.058
N2	C6	C3	122.021	N2	C6	H10	117.058
C3	N1	C4	115.958	C3	C6	H10	120.921
C4	C5	H9	120.921	C5	N2	C6	115.958
C5	C4	H8	120.921	C6	C3	H7	120.921

All results from a given calculation for C₄H₄N₂ (Pyrazine)

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

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)