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	hartrees
Energy at 0K	-43.496656
Energy at 298.15K	-43.502892
Nuclear repulsion energy	105.535086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3400	3103	0.00
2	A_g	1742	1589	0.00
3	A_g	1342	1224	0.00
4	A_g	1086	991	0.00
5	A_g	653	596	0.00
6	A_u	1093	997	0.00
7	A_u	422	385	0.00
8	B_1g	1044	953	0.00
9	B_1u	3374	3079	4.15
10	B_1u	1619	1477	6.63
11	B_1u	1229	1121	5.09
12	B_1u	1103	1006	38.54
13	B_2g	1089	994	0.00
14	B_2g	842	769	0.00
15	B_2u	3393	3096	60.92
16	B_2u	1537	1403	48.89
17	B_2u	1173	1070	0.49
18	B_2u	1149	1048	44.79
19	B_3g	3372	3077	0.00
20	B_3g	1705	1556	0.00
21	B_3g	1481	1351	0.00
22	B_3g	767	700	0.00
23	B_3u	896	818	50.62
24	B_3u	498	454	33.34

Atom	y (Å)	z (Å)
N1	0.000	1.398
N2	0.000	-1.398
C3	1.148	0.701
C4	-1.148	0.701
C5	-1.148	-0.701
C6	1.148	-0.701
H7	2.062	1.260
H8	-2.062	1.260
H9	-2.062	-1.260
H10	2.062	-1.260

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7951	1.3426	1.3426	2.3921	2.3921	2.0667	2.0667	3.3639	3.3639
N2	2.7951		2.3921	2.3921	1.3426	1.3426	3.3639	3.3639	2.0667	2.0667
C3	1.3426	2.3921		2.2956	2.6901	1.4024	1.0716	3.2583	3.7617	2.1639
C4	1.3426	2.3921	2.2956		1.4024	2.6901	3.2583	1.0716	2.1639	3.7617
C5	2.3921	1.3426	2.6901	1.4024		2.2956	3.7617	2.1639	1.0716	3.2583
C6	2.3921	1.3426	1.4024	2.6901	2.2956		2.1639	3.7617	3.2583	1.0716
H7	2.0667	3.3639	1.0716	3.2583	3.7617	2.1639		4.1243	4.8333	2.5202
H8	2.0667	3.3639	3.2583	1.0716	2.1639	3.7617	4.1243		2.5202	4.8333
H9	3.3639	2.0667	3.7617	2.1639	1.0716	3.2583	4.8333	2.5202		4.1243
H10	3.3639	2.0667	2.1639	3.7617	3.2583	1.0716	2.5202	4.8333	4.1243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.245	N1	C3	H7	117.316
N1	C4	C5	121.245	N1	C4	H8	117.316
N2	C5	C4	121.245	N2	C5	H9	117.316
N2	C6	C3	121.245	N2	C6	H10	117.316
C3	N1	C4	117.509	C3	C6	H10	121.438
C4	C5	H9	121.438	C5	N2	C6	117.509
C5	C4	H8	121.438	C6	C3	H7	121.438

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HF/CEP-121G

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	0.037
2	N	0.037
3	C	-0.206
4	C	-0.206
5	C	-0.206
6	C	-0.206
7	H	0.187
8	H	0.187
9	H	0.187
10	H	0.187

<r²>	94.182
(<r²>)^1/2	9.705

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)