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	hartrees
Energy at 0K	-262.726224
Energy at 298.15K	-262.732242
HF Energy	-262.726224
Nuclear repulsion energy	207.632929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3255	3083	0.00
2	A_g	1604	1519	0.00
3	A_g	1280	1212	0.00
4	A_g	1050	994	0.00
5	A_g	625	592	0.00
6	A_u	1085	1028	0.00
7	A_u	372	352	0.00
8	B_1g	1003	950	0.00
9	B_1u	3233	3062	5.35
10	B_1u	1522	1442	18.25
11	B_1u	1178	1115	0.17
12	B_1u	1023	969	32.11
13	B_2g	1079	1022	0.00
14	B_2g	818	775	0.00
15	B_2u	3246	3075	25.90
16	B_2u	1462	1384	32.55
17	B_2u	1148	1088	7.26
18	B_2u	1102	1044	6.44
19	B_3g	3229	3059	0.00
20	B_3g	1562	1479	0.00
21	B_3g	1408	1334	0.00
22	B_3g	739	700	0.00
23	B_3u	857	812	40.59
24	B_3u	458	433	26.31

Atom	y (Å)	z (Å)
N1	0.000	1.403
N2	0.000	-1.403
C3	1.150	0.697
C4	-1.150	0.697
C5	-1.150	-0.697
C6	1.150	-0.697
H7	2.075	1.256
H8	-2.075	1.256
H9	-2.075	-1.256
H10	2.075	-1.256

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8062	1.3493	1.3493	2.3938	2.3938	2.0807	2.0807	3.3732	3.3732
N2	2.8062		2.3938	2.3938	1.3493	1.3493	3.3732	3.3732	2.0807	2.0807
C3	1.3493	2.3938		2.2991	2.6883	1.3932	1.0818	3.2732	3.7701	2.1611
C4	1.3493	2.3938	2.2991		1.3932	2.6883	3.2732	1.0818	2.1611	3.7701
C5	2.3938	1.3493	2.6883	1.3932		2.2991	3.7701	2.1611	1.0818	3.2732
C6	2.3938	1.3493	1.3932	2.6883	2.2991		2.1611	3.7701	3.2732	1.0818
H7	2.0807	3.3732	1.0818	3.2732	3.7701	2.1611		4.1509	4.8519	2.5122
H8	2.0807	3.3732	3.2732	1.0818	2.1611	3.7701	4.1509		2.5122	4.8519
H9	3.3732	2.0807	3.7701	2.1611	1.0818	3.2732	4.8519	2.5122		4.1509
H10	3.3732	2.0807	2.1611	3.7701	3.2732	1.0818	2.5122	4.8519	4.1509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.573	N1	C3	H7	117.286
N1	C4	C5	121.573	N1	C4	H8	117.286
N2	C5	C4	121.573	N2	C5	H9	117.286
N2	C6	C3	121.573	N2	C6	H10	117.286
C3	N1	C4	116.854	C3	C6	H10	121.141
C4	C5	H9	121.141	C5	N2	C6	116.854
C5	C4	H8	121.141	C6	C3	H7	121.141

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	N	-0.502
2	N	-0.502
3	C	0.009
4	C	0.009
5	C	0.009
6	C	0.009
7	H	0.242
8	H	0.242
9	H	0.242
10	H	0.242

<r²>	116.165
(<r²>)^1/2	10.778

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)