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	hartrees
Energy at 0K	-260.849017
Energy at 298.15K	-260.854238
Nuclear repulsion energy	200.473878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3330	3081	0.00
2	A_g	1568	1450	0.00
3	A_g	1237	1145	0.00
4	A_g	974	901	0.00
5	A_g	602	557	0.00
6	A_u	959	887	0.00
7	A_u	305	283	0.00
8	B_1g	905	837	0.00
9	B_1u	3310	3062	2.84
10	B_1u	1493	1381	22.72
11	B_1u	1106	1023	2.09
12	B_1u	985	911	3.17
13	B_2g	947	876	0.00
14	B_2g	727	672	0.00
15	B_2u	3325	3076	3.02
16	B_2u	1408	1303	35.01
17	B_2u	1123	1039	8.47
18	B_2u	1041	964	1.90
19	B_3g	3312	3065	0.00
20	B_3g	1478	1368	0.00
21	B_3g	1327	1227	0.00
22	B_3g	673	623	0.00
23	B_3u	770	712	12.27
24	B_3u	370	342	10.99

Atom	y (Å)	z (Å)
N1	0.000	1.510
N2	0.000	-1.510
C3	1.164	0.712
C4	-1.164	0.712
C5	-1.164	-0.712
C6	1.164	-0.712
H7	2.125	1.270
H8	-2.125	1.270
H9	-2.125	-1.270
H10	2.125	-1.270

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		3.0201	1.4113	1.4113	2.5082	2.5082	2.1381	2.1381	3.4992	3.4992
N2	3.0201		2.5082	2.5082	1.4113	1.4113	3.4992	3.4992	2.1381	2.1381
C3	1.4113	2.5082		2.3276	2.7284	1.4235	1.1114	3.3355	3.8396	2.2027
C4	1.4113	2.5082	2.3276		1.4235	2.7284	3.3355	1.1114	2.2027	3.8396
C5	2.5082	1.4113	2.7284	1.4235		2.3276	3.8396	2.2027	1.1114	3.3355
C6	2.5082	1.4113	1.4235	2.7284	2.3276		2.2027	3.8396	3.3355	1.1114
H7	2.1381	3.4992	1.1114	3.3355	3.8396	2.2027		4.2493	4.9509	2.5406
H8	2.1381	3.4992	3.3355	1.1114	2.2027	3.8396	4.2493		2.5406	4.9509
H9	3.4992	2.1381	3.8396	2.2027	1.1114	3.3355	4.9509	2.5406		4.2493
H10	3.4992	2.1381	2.2027	3.8396	3.3355	1.1114	2.5406	4.9509	4.2493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	124.448	N1	C3	H7	115.382
N1	C4	C5	124.448	N1	C4	H8	115.382
N2	C5	C4	124.448	N2	C5	H9	115.382
N2	C6	C3	124.448	N2	C6	H10	115.382
C3	N1	C4	111.104	C3	C6	H10	120.170
C4	C5	H9	120.170	C5	N2	C6	111.104
C5	C4	H8	120.170	C6	C3	H7	120.170

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: BLYP/STO-3G

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	-0.187
2	N	-0.187
3	C	-0.002
4	C	-0.002
5	C	-0.002
6	C	-0.002
7	H	0.096
8	H	0.096
9	H	0.096
10	H	0.096

<r²>	121.358
(<r²>)^1/2	11.016

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)