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	hartrees
Energy at 0K	-264.203017
Energy at 298.15K	-264.208938
HF Energy	-264.203017
Nuclear repulsion energy	209.080991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	3058	0.00
2	A_g	1681	1592	0.00
3	A_g	1272	1204	0.00
4	A_g	1072	1016	0.00
5	A_g	606	574	0.00
6	A_u	1018	964	0.00
7	A_u	361	342	0.00
8	B_1g	962	911	0.00
9	B_1u	3209	3039	4.73
10	B_1u	1547	1465	1.53
11	B_1u	1187	1124	7.11
12	B_1u	1038	983	34.37
13	B_2g	1005	952	0.00
14	B_2g	783	741	0.00
15	B_2u	3223	3052	50.89
16	B_2u	1470	1392	37.07
17	B_2u	1236	1171	3.98
18	B_2u	1115	1056	12.89
19	B_3g	3208	3038	0.00
20	B_3g	1649	1562	0.00
21	B_3g	1386	1313	0.00
22	B_3g	726	688	0.00
23	B_3u	817	774	23.52
24	B_3u	436	413	22.63

Atom	y (Å)	z (Å)
N1	0.000	1.405
N2	0.000	-1.405
C3	1.129	0.697
C4	-1.129	0.697
C5	-1.129	-0.697
C6	1.129	-0.697
H7	2.062	1.255
H8	-2.062	1.255
H9	-2.062	-1.255
H10	2.062	-1.255

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8105	1.3328	1.3328	2.3863	2.3863	2.0677	2.0677	3.3657	3.3657
N2	2.8105		2.3863	2.3863	1.3328	1.3328	3.3657	3.3657	2.0677	2.0677
C3	1.3328	2.3863		2.2581	2.6537	1.3940	1.0871	3.2396	3.7407	2.1632
C4	1.3328	2.3863	2.2581		1.3940	2.6537	3.2396	1.0871	2.1632	3.7407
C5	2.3863	1.3328	2.6537	1.3940		2.2581	3.7407	2.1632	1.0871	3.2396
C6	2.3863	1.3328	1.3940	2.6537	2.2581		2.1632	3.7407	3.2396	1.0871
H7	2.0677	3.3657	1.0871	3.2396	3.7407	2.1632		4.1245	4.8278	2.5091
H8	2.0677	3.3657	3.2396	1.0871	2.1632	3.7407	4.1245		2.5091	4.8278
H9	3.3657	2.0677	3.7407	2.1632	1.0871	3.2396	4.8278	2.5091		4.1245
H10	3.3657	2.0677	2.1632	3.7407	3.2396	1.0871	2.5091	4.8278	4.1245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	122.100	N1	C3	H7	117.043
N1	C4	C5	122.100	N1	C4	H8	117.043
N2	C5	C4	122.100	N2	C5	H9	117.043
N2	C6	C3	122.100	N2	C6	H10	117.043
C3	N1	C4	115.800	C3	C6	H10	120.857
C4	C5	H9	120.857	C5	N2	C6	115.800
C5	C4	H8	120.857	C6	C3	H7	120.857

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: M06-2X/6-31G*

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	-0.396
2	N	-0.396
3	C	0.014
4	C	0.014
5	C	0.014
6	C	0.014
7	H	0.185
8	H	0.185
9	H	0.185
10	H	0.185

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)