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	hartrees
Energy at 0K	-262.907888
Energy at 298.15K	-262.913657
Nuclear repulsion energy	209.644465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3087	3055	0.00
2	A_g	1597	1580	0.00
3	A_g	1215	1203	0.00
4	A_g	1040	1029	0.00
5	A_g	589	583	0.00
6	A_u	968	958	0.00
7	A_u	298	295	0.00
8	B_1g	914	904	0.00
9	B_1u	3067	3035	1.93
10	B_1u	1470	1454	1.76
11	B_1u	1147	1135	10.88
12	B_1u	1009	998	38.19
13	B_2g	962	952	0.00
14	B_2g	771	762	0.00
15	B_2u	3079	3047	56.46
16	B_2u	1408	1394	35.01
17	B_2u	1307	1294	0.05
18	B_2u	1067	1056	6.64
19	B_3g	3066	3034	0.00
20	B_3g	1586	1569	0.00
21	B_3g	1315	1301	0.00
22	B_3g	706	698	0.00
23	B_3u	770	762	33.99
24	B_3u	412	408	21.13

Atom	y (Å)	z (Å)
N1	0.000	1.396
N2	0.000	-1.396
C3	1.127	0.694
C4	-1.127	0.694
C5	-1.127	-0.694
C6	1.127	-0.694
H7	2.068	1.258
H8	-2.068	1.258
H9	-2.068	-1.258
H10	2.068	-1.258

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7930	1.3277	1.3277	2.3746	2.3746	2.0723	2.0723	3.3644	3.3644
N2	2.7930		2.3746	2.3746	1.3277	1.3277	3.3644	3.3644	2.0723	2.0723
C3	1.3277	2.3746		2.2531	2.6461	1.3877	1.0970	3.2436	3.7431	2.1665
C4	1.3277	2.3746	2.2531		1.3877	2.6461	3.2436	1.0970	2.1665	3.7431
C5	2.3746	1.3277	2.6461	1.3877		2.2531	3.7431	2.1665	1.0970	3.2436
C6	2.3746	1.3277	1.3877	2.6461	2.2531		2.1665	3.7431	3.2436	1.0970
H7	2.0723	3.3644	1.0970	3.2436	3.7431	2.1665		4.1353	4.8401	2.5150
H8	2.0723	3.3644	3.2436	1.0970	2.1665	3.7431	4.1353		2.5150	4.8401
H9	3.3644	2.0723	3.7431	2.1665	1.0970	3.2436	4.8401	2.5150		4.1353
H10	3.3644	2.0723	2.1665	3.7431	3.2436	1.0970	2.5150	4.8401	4.1353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.953	N1	C3	H7	117.128
N1	C4	C5	121.953	N1	C4	H8	117.128
N2	C5	C4	121.953	N2	C5	H9	117.128
N2	C6	C3	121.953	N2	C6	H10	117.128
C3	N1	C4	116.094	C3	C6	H10	120.919
C4	C5	H9	120.919	C5	N2	C6	116.094
C5	C4	H8	120.919	C6	C3	H7	120.919

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: SVWN/6-311G**

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	-0.230
2	N	-0.230
3	C	-0.035
4	C	-0.035
5	C	-0.035
6	C	-0.035
7	H	0.150
8	H	0.150
9	H	0.150
10	H	0.150

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)