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	hartrees
Energy at 0K	-263.128004
Energy at 298.15K	-263.133703
HF Energy	-262.574106
Nuclear repulsion energy	203.057194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3233	3114	0.00
2	A_g	1530	1473	0.00
3	A_g	1238	1192	0.00
4	A_g	955	919	0.00
5	A_g	598	576	0.00
6	A_u	867	835	0.00
7	A_u	334	322	0.00
8	B_1g	892	859	0.00
9	B_1u	3201	3083	3.63
10	B_1u	1468	1414	9.86
11	B_1u	1128	1086	0.33
12	B_1u	979	943	23.69
13	B_2g	886	853	0.00
14	B_2g	750	722	0.00
15	B_2u	3227	3108	59.67
16	B_2u	1398	1346	36.55
17	B_2u	1193	1149	11.29
18	B_2u	1045	1006	4.13
19	B_3g	3201	3083	0.00
20	B_3g	1480	1425	0.00
21	B_3g	1363	1313	0.00
22	B_3g	699	673	0.00
23	B_3u	770	741	53.93
24	B_3u	427	412	28.96

Atom	y (Å)	z (Å)
N1	0.000	1.444
N2	0.000	-1.444
C3	1.173	0.713
C4	-1.173	0.713
C5	-1.173	-0.713
C6	1.173	-0.713
H7	2.102	1.287
H8	-2.102	1.287
H9	-2.102	-1.287
H10	2.102	-1.287

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8885	1.3828	1.3828	2.4553	2.4553	2.1076	2.1076	3.4460	3.4460
N2	2.8885		2.4553	2.4553	1.3828	1.3828	3.4460	3.4460	2.1076	2.1076
C3	1.3828	2.4553		2.3468	2.7456	1.4251	1.0915	3.3250	3.8370	2.2042
C4	1.3828	2.4553	2.3468		1.4251	2.7456	3.3250	1.0915	2.2042	3.8370
C5	2.4553	1.3828	2.7456	1.4251		2.3468	3.8370	2.2042	1.0915	3.3250
C6	2.4553	1.3828	1.4251	2.7456	2.3468		2.2042	3.8370	3.3250	1.0915
H7	2.1076	3.4460	1.0915	3.3250	3.8370	2.2042		4.2033	4.9285	2.5733
H8	2.1076	3.4460	3.3250	1.0915	2.2042	3.8370	4.2033		2.5733	4.9285
H9	3.4460	2.1076	3.8370	2.2042	1.0915	3.3250	4.9285	2.5733		4.2033
H10	3.4460	2.1076	2.2042	3.8370	3.3250	1.0915	2.5733	4.9285	4.2033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.946	N1	C3	H7	116.318
N1	C4	C5	121.946	N1	C4	H8	116.318
N2	C5	C4	121.946	N2	C5	H9	116.318
N2	C6	C3	121.946	N2	C6	H10	116.318
C3	N1	C4	116.107	C3	C6	H10	121.736
C4	C5	H9	121.736	C5	N2	C6	116.107
C5	C4	H8	121.736	C6	C3	H7	121.736

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)