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	hartrees
Energy at 0K	-261.769901
Energy at 298.15K	-261.775795
HF Energy	-261.189612
Nuclear repulsion energy	205.387387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3238	3069	0.00
2	A_g	1538	1458	0.00
3	A_g	1272	1206	0.00
4	A_g	979	928	0.00
5	A_g	626	594	0.00
6	A_u	1018	965	0.00
7	A_u	353	334	0.00
8	B_1g	966	916	0.00
9	B_1u	3213	3046	11.99
10	B_1u	1504	1426	19.83
11	B_1u	1157	1097	2.65
12	B_1u	986	934	24.13
13	B_2g	1011	958	0.00
14	B_2g	791	750	0.00
15	B_2u	3229	3061	40.44
16	B_2u	1443	1368	22.62
17	B_2u	1154	1094	11.31
18	B_2u	1048	994	5.15
19	B_3g	3209	3042	0.00
20	B_3g	1468	1392	0.00
21	B_3g	1384	1312	0.00
22	B_3g	725	687	0.00
23	B_3u	820	778	36.77
24	B_3u	441	418	23.55

Atom	y (Å)	z (Å)
N1	0.000	1.428
N2	0.000	-1.428
C3	1.161	0.700
C4	-1.161	0.700
C5	-1.161	-0.700
C6	1.161	-0.700
H7	2.089	1.261
H8	-2.089	1.261
H9	-2.089	-1.261
H10	2.089	-1.261

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8562	1.3706	1.3706	2.4239	2.4239	2.0956	2.0956	3.4051	3.4051
N2	2.8562		2.4239	2.4239	1.3706	1.3706	3.4051	3.4051	2.0956	2.0956
C3	1.3706	2.4239		2.3219	2.7109	1.3993	1.0846	3.2980	3.7955	2.1692
C4	1.3706	2.4239	2.3219		1.3993	2.7109	3.2980	1.0846	2.1692	3.7955
C5	2.4239	1.3706	2.7109	1.3993		2.3219	3.7955	2.1692	1.0846	3.2980
C6	2.4239	1.3706	1.3993	2.7109	2.3219		2.1692	3.7955	3.2980	1.0846
H7	2.0956	3.4051	1.0846	3.2980	3.7955	2.1692		4.1779	4.8801	2.5220
H8	2.0956	3.4051	3.2980	1.0846	2.1692	3.7955	4.1779		2.5220	4.8801
H9	3.4051	2.0956	3.7955	2.1692	1.0846	3.2980	4.8801	2.5220		4.1779
H10	3.4051	2.0956	2.1692	3.7955	3.2980	1.0846	2.5220	4.8801	4.1779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.107	N1	C3	H7	116.723
N1	C4	C5	122.107	N1	C4	H8	116.723
N2	C5	C4	122.107	N2	C5	H9	116.723
N2	C6	C3	122.107	N2	C6	H10	116.723
C3	N1	C4	115.786	C3	C6	H10	121.170
C4	C5	H9	121.170	C5	N2	C6	115.786
C5	C4	H8	121.170	C6	C3	H7	121.170

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)