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	hartrees
Energy at 0K	-263.544251
Energy at 298.15K	-263.550173
HF Energy	-262.680852
Nuclear repulsion energy	208.711419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3060	0.00
2	A_g	1696	1591	0.00
3	A_g	1295	1215	0.00
4	A_g	1071	1005	0.00
5	A_g	619	581	0.00
6	A_u	988	927	0.00
7	A_u	368	345	0.00
8	B_1g	960	901	0.00
9	B_1u	3241	3041	5.50
10	B_1u	1568	1472	3.12
11	B_1u	1196	1123	5.45
12	B_1u	1060	995	37.41
13	B_2g	969	909	0.00
14	B_2g	761	714	0.00
15	B_2u	3256	3055	48.98
16	B_2u	1487	1396	38.14
17	B_2u	1172	1099	14.30
18	B_2u	1130	1060	16.17
19	B_3g	3240	3040	0.00
20	B_3g	1640	1539	0.00
21	B_3g	1411	1324	0.00
22	B_3g	731	686	0.00
23	B_3u	817	767	28.09
24	B_3u	436	409	24.55

Atom	y (Å)	z (Å)
N1	0.000	1.406
N2	0.000	-1.406
C3	1.133	0.699
C4	-1.133	0.699
C5	-1.133	-0.699
C6	1.133	-0.699
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		2.8125	1.3360	1.3360	2.3904	2.3904	2.0721	2.0721	3.3704	3.3704
N2	2.8125		2.3904	2.3904	1.3360	1.3360	3.3704	3.3704	2.0721	2.0721
C3	1.3360	2.3904		2.2664	2.6623	1.3970	1.0874	3.2481	3.7496	2.1661
C4	1.3360	2.3904	2.2664		1.3970	2.6623	3.2481	1.0874	2.1661	3.7496
C5	2.3904	1.3360	2.6623	1.3970		2.2664	3.7496	2.1661	1.0874	3.2481
C6	2.3904	1.3360	1.3970	2.6623	2.2664		2.1661	3.7496	3.2481	1.0874
H7	2.0721	3.3704	1.0874	3.2481	3.7496	2.1661		4.1333	4.8369	2.5124
H8	2.0721	3.3704	3.2481	1.0874	2.1661	3.7496	4.1333		2.5124	4.8369
H9	3.3704	2.0721	3.7496	2.1661	1.0874	3.2481	4.8369	2.5124		4.1333
H10	3.3704	2.0721	2.1661	3.7496	3.2481	1.0874	2.5124	4.8369	4.1333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.987	N1	C3	H7	117.157
N1	C4	C5	121.987	N1	C4	H8	117.157
N2	C5	C4	121.987	N2	C5	H9	117.157
N2	C6	C3	121.987	N2	C6	H10	117.157
C3	N1	C4	116.025	C3	C6	H10	120.855
C4	C5	H9	120.855	C5	N2	C6	116.025
C5	C4	H8	120.855	C6	C3	H7	120.855

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)