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	hartrees
Energy at 0K	-264.231329
Energy at 298.15K	-264.237067
Nuclear repulsion energy	206.642976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3098	3074	0.00
2	A_g	1555	1543	0.00
3	A_g	1222	1212	0.00
4	A_g	1002	995	0.00
5	A_g	592	587	0.00
6	A_u	951	944	0.00
7	A_u	320	318	0.00
8	B_1g	914	907	0.00
9	B_1u	3076	3052	14.20
10	B_1u	1471	1459	1.30
11	B_1u	1130	1121	2.44
12	B_1u	997	989	34.64
13	B_2g	947	940	0.00
14	B_2g	749	743	0.00
15	B_2u	3091	3067	91.17
16	B_2u	1407	1396	24.36
17	B_2u	1209	1199	0.46
18	B_2u	1058	1050	10.97
19	B_3g	3076	3053	0.00
20	B_3g	1510	1499	0.00
21	B_3g	1342	1332	0.00
22	B_3g	699	694	0.00
23	B_3u	777	771	15.33
24	B_3u	414	411	19.21

Atom	y (Å)	z (Å)
N1	0.000	1.425
N2	0.000	-1.425
C3	1.142	0.703
C4	-1.142	0.703
C5	-1.142	-0.703
C6	1.142	-0.703
H7	2.083	1.265
H8	-2.083	1.265
H9	-2.083	-1.265
H10	2.083	-1.265

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8508	1.3513	1.3513	2.4158	2.4158	2.0892	2.0892	3.4024	3.4024
N2	2.8508		2.4158	2.4158	1.3513	1.3513	3.4024	3.4024	2.0892	2.0892
C3	1.3513	2.4158		2.2844	2.6827	1.4066	1.0956	3.2737	3.7783	2.1815
C4	1.3513	2.4158	2.2844		1.4066	2.6827	3.2737	1.0956	2.1815	3.7783
C5	2.4158	1.3513	2.6827	1.4066		2.2844	3.7783	2.1815	1.0956	3.2737
C6	2.4158	1.3513	1.4066	2.6827	2.2844		2.1815	3.7783	3.2737	1.0956
H7	2.0892	3.4024	1.0956	3.2737	3.7783	2.1815		4.1660	4.8739	2.5297
H8	2.0892	3.4024	3.2737	1.0956	2.1815	3.7783	4.1660		2.5297	4.8739
H9	3.4024	2.0892	3.7783	2.1815	1.0956	3.2737	4.8739	2.5297		4.1660
H10	3.4024	2.0892	2.1815	3.7783	3.2737	1.0956	2.5297	4.8739	4.1660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.301	N1	C3	H7	116.865
N1	C4	C5	122.301	N1	C4	H8	116.865
N2	C5	C4	122.301	N2	C5	H9	116.865
N2	C6	C3	122.301	N2	C6	H10	116.865
C3	N1	C4	115.397	C3	C6	H10	120.834
C4	C5	H9	120.834	C5	N2	C6	115.397
C5	C4	H8	120.834	C6	C3	H7	120.834

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	-0.371
2	N	-0.371
3	C	0.100
4	C	0.100
5	C	0.100
6	C	0.100
7	H	0.085
8	H	0.085
9	H	0.085
10	H	0.085

<r²>	116.764
(<r²>)^1/2	10.806

All results from a given calculation for C4H4N2 (Pyrazine)

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

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)