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	hartrees
Energy at 0K	-264.117809
Energy at 298.15K	-264.123752
HF Energy	-264.117809
Nuclear repulsion energy	209.900899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3188	3064	0.00
2	A_g	1644	1580	0.00
3	A_g	1259	1210	0.00
4	A_g	1058	1017	0.00
5	A_g	608	585	0.00
6	A_u	1017	978	0.00
7	A_u	349	336	0.00
8	B_1g	955	918	0.00
9	B_1u	3167	3044	4.14
10	B_1u	1528	1468	1.19
11	B_1u	1177	1131	6.65
12	B_1u	1039	999	37.14
13	B_2g	1004	965	0.00
14	B_2g	789	759	0.00
15	B_2u	3182	3058	65.19
16	B_2u	1451	1395	35.37
17	B_2u	1256	1207	4.36
18	B_2u	1099	1057	10.78
19	B_3g	3166	3043	0.00
20	B_3g	1614	1551	0.00
21	B_3g	1375	1322	0.00
22	B_3g	722	694	0.00
23	B_3u	810	779	29.83
24	B_3u	434	417	22.48

Atom	y (Å)	z (Å)
N1	0.000	1.397
N2	0.000	-1.397
C3	1.126	0.694
C4	-1.126	0.694
C5	-1.126	-0.694
C6	1.126	-0.694
H7	2.058	1.250
H8	-2.058	1.250
H9	-2.058	-1.250
H10	2.058	-1.250

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7949	1.3272	1.3272	2.3751	2.3751	2.0629	2.0629	3.3529	3.3529
N2	2.7949		2.3751	2.3751	1.3272	1.3272	3.3529	3.3529	2.0629	2.0629
C3	1.3272	2.3751		2.2511	2.6447	1.3882	1.0852	3.2313	3.7298	2.1559
C4	1.3272	2.3751	2.2511		1.3882	2.6447	3.2313	1.0852	2.1559	3.7298
C5	2.3751	1.3272	2.6447	1.3882		2.2511	3.7298	2.1559	1.0852	3.2313
C6	2.3751	1.3272	1.3882	2.6447	2.2511		2.1559	3.7298	3.2313	1.0852
H7	2.0629	3.3529	1.0852	3.2313	3.7298	2.1559		4.1151	4.8149	2.4999
H8	2.0629	3.3529	3.2313	1.0852	2.1559	3.7298	4.1151		2.4999	4.8149
H9	3.3529	2.0629	3.7298	2.1559	1.0852	3.2313	4.8149	2.4999		4.1151
H10	3.3529	2.0629	2.1559	3.7298	3.2313	1.0852	2.4999	4.8149	4.1151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.001	N1	C3	H7	117.187
N1	C4	C5	122.001	N1	C4	H8	117.187
N2	C5	C4	122.001	N2	C5	H9	117.187
N2	C6	C3	122.001	N2	C6	H10	117.187
C3	N1	C4	115.998	C3	C6	H10	120.812
C4	C5	H9	120.812	C5	N2	C6	115.998
C5	C4	H8	120.812	C6	C3	H7	120.812

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.149
2	N	-0.149
3	C	-0.060
4	C	-0.060
5	C	-0.060
6	C	-0.060
7	H	0.134
8	H	0.134
9	H	0.134
10	H	0.134

<r²>	113.938
(<r²>)^1/2	10.674

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)