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	hartrees
Energy at 0K	-262.850062
Energy at 298.15K	-262.855815
Nuclear repulsion energy	208.744313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	3069	0.00
2	A_g	1611	1598	0.00
3	A_g	1208	1198	0.00
4	A_g	1043	1035	0.00
5	A_g	583	578	0.00
6	A_u	964	956	0.00
7	A_u	301	298	0.00
8	B_1g	908	901	0.00
9	B_1u	3073	3048	3.33
10	B_1u	1469	1457	1.50
11	B_1u	1143	1134	8.28
12	B_1u	1002	995	37.60
13	B_2g	956	948	0.00
14	B_2g	769	763	0.00
15	B_2u	3087	3062	57.14
16	B_2u	1405	1394	32.95
17	B_2u	1335	1324	0.31
18	B_2u	1065	1057	5.93
19	B_3g	3072	3048	0.00
20	B_3g	1595	1583	0.00
21	B_3g	1300	1290	0.00
22	B_3g	698	693	0.00
23	B_3u	766	760	24.88
24	B_3u	409	406	17.15

Atom	y (Å)	z (Å)
N1	0.000	1.407
N2	0.000	-1.407
C3	1.128	0.697
C4	-1.128	0.697
C5	-1.128	-0.697
C6	1.128	-0.697
H7	2.079	1.262
H8	-2.079	1.262
H9	-2.079	-1.262
H10	2.079	-1.262

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8135	1.3328	1.3328	2.3869	2.3869	2.0836	2.0836	3.3824	3.3824
N2	2.8135		2.3869	2.3869	1.3328	1.3328	3.3824	3.3824	2.0836	2.0836
C3	1.3328	2.3869		2.2560	2.6517	1.3936	1.1057	3.2559	3.7573	2.1769
C4	1.3328	2.3869	2.2560		1.3936	2.6517	3.2559	1.1057	2.1769	3.7573
C5	2.3869	1.3328	2.6517	1.3936		2.2560	3.7573	2.1769	1.1057	3.2559
C6	2.3869	1.3328	1.3936	2.6517	2.2560		2.1769	3.7573	3.2559	1.1057
H7	2.0836	3.3824	1.1057	3.2559	3.7573	2.1769		4.1571	4.8630	2.5233
H8	2.0836	3.3824	3.2559	1.1057	2.1769	3.7573	4.1571		2.5233	4.8630
H9	3.3824	2.0836	3.7573	2.1769	1.1057	3.2559	4.8630	2.5233		4.1571
H10	3.3824	2.0836	2.1769	3.7573	3.2559	1.1057	2.5233	4.8630	4.1571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.186	N1	C3	H7	117.093
N1	C4	C5	122.186	N1	C4	H8	117.093
N2	C5	C4	122.186	N2	C5	H9	117.093
N2	C6	C3	122.186	N2	C6	H10	117.093
C3	N1	C4	115.628	C3	C6	H10	120.721
C4	C5	H9	120.721	C5	N2	C6	115.628
C5	C4	H8	120.721	C6	C3	H7	120.721

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: SVWN/cc-pVDZ

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	-0.089
2	N	-0.089
3	C	-0.005
4	C	-0.005
5	C	-0.005
6	C	-0.005
7	H	0.049
8	H	0.049
9	H	0.049
10	H	0.049

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: SVWN/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)