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	hartrees
Energy at 0K	-264.207516
Energy at 298.15K	-264.213297
HF Energy	-264.207516
Nuclear repulsion energy	207.879882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3109	3064	0.00
2	A_g	1569	1546	0.00
3	A_g	1226	1208	0.00
4	A_g	1015	1000	0.00
5	A_g	600	591	0.00
6	A_u	963	949	0.00
7	A_u	316	311	0.00
8	B_1g	917	904	0.00
9	B_1u	3087	3042	12.44
10	B_1u	1473	1452	1.25
11	B_1u	1140	1124	5.03
12	B_1u	1011	996	36.26
13	B_2g	956	943	0.00
14	B_2g	758	747	0.00
15	B_2u	3102	3057	104.15
16	B_2u	1409	1389	28.90
17	B_2u	1216	1199	1.00
18	B_2u	1062	1047	9.48
19	B_3g	3086	3042	0.00
20	B_3g	1523	1501	0.00
21	B_3g	1341	1322	0.00
22	B_3g	705	695	0.00
23	B_3u	776	765	28.84
24	B_3u	413	408	20.41

Atom	y (Å)	z (Å)
N1	0.000	1.415
N2	0.000	-1.415
C3	1.136	0.700
C4	-1.136	0.700
C5	-1.136	-0.700
C6	1.136	-0.700
H7	2.071	1.261
H8	-2.071	1.261
H9	-2.071	-1.261
H10	2.071	-1.261

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.8304	1.3420	1.3420	2.4008	2.4008	2.0770	2.0770	3.3840	3.3840
N2	2.8304		2.4008	2.4008	1.3420	1.3420	3.3840	3.3840	2.0770	2.0770
C3	1.3420	2.4008		2.2711	2.6680	1.4000	1.0909	3.2555	3.7588	2.1727
C4	1.3420	2.4008	2.2711		1.4000	2.6680	3.2555	1.0909	2.1727	3.7588
C5	2.4008	1.3420	2.6680	1.4000		2.2711	3.7588	2.1727	1.0909	3.2555
C6	2.4008	1.3420	1.4000	2.6680	2.2711		2.1727	3.7588	3.2555	1.0909
H7	2.0770	3.3840	1.0909	3.2555	3.7588	2.1727		4.1426	4.8497	2.5217
H8	2.0770	3.3840	3.2555	1.0909	2.1727	3.7588	4.1426		2.5217	4.8497
H9	3.3840	2.0770	3.7588	2.1727	1.0909	3.2555	4.8497	2.5217		4.1426
H10	3.3840	2.0770	2.1727	3.7588	3.2555	1.0909	2.5217	4.8497	4.1426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.792	N1	C3	H7	117.295
N1	C4	C5	121.792	N1	C4	H8	117.295
N2	C5	C4	121.792	N2	C5	H9	117.295
N2	C6	C3	121.792	N2	C6	H10	117.295
C3	N1	C4	116.415	C3	C6	H10	120.913
C4	C5	H9	120.913	C5	N2	C6	116.415
C5	C4	H8	120.913	C6	C3	H7	120.913

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: B97D3/6-311G**

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	-0.245
2	N	-0.245
3	C	0.011
4	C	0.011
5	C	0.011
6	C	0.011
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111

<r²>	115.748
(<r²>)^1/2	10.759

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)