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	hartrees
Energy at 0K	-262.733052
Energy at 298.15K	-262.739266
Nuclear repulsion energy	211.195069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3375	3052	0.00
2	A_g	1799	1627	0.00
3	A_g	1353	1223	0.00
4	A_g	1122	1015	0.00
5	A_g	655	592	0.00
6	A_u	1117	1010	0.00
7	A_u	425	385	0.00
8	B_1g	1040	941	0.00
9	B_1u	3351	3030	9.22
10	B_1u	1663	1504	0.71
11	B_1u	1257	1136	9.84
12	B_1u	1122	1015	40.61
13	B_2g	1093	989	0.00
14	B_2g	839	759	0.00
15	B_2u	3368	3046	86.98
16	B_2u	1564	1414	48.41
17	B_2u	1189	1076	0.84
18	B_2u	1088	984	61.02
19	B_3g	3349	3029	0.00
20	B_3g	1753	1585	0.00
21	B_3g	1491	1348	0.00
22	B_3g	777	703	0.00
23	B_3u	889	804	36.31
24	B_3u	486	440	26.85

Atom	y (Å)	z (Å)
N1	0.000	1.386
N2	0.000	-1.386
C3	1.120	0.693
C4	-1.120	0.693
C5	-1.120	-0.693
C6	1.120	-0.693
H7	2.042	1.246
H8	-2.042	1.246
H9	-2.042	-1.246
H10	2.042	-1.246

	N1	N2	C3	C4	C5	C6	H7	H8	H9	H10
N1		2.7719	1.3171	1.3171	2.3611	2.3611	2.0465	2.0465	3.3308	3.3308
N2	2.7719		2.3611	2.3611	1.3171	1.3171	3.3308	3.3308	2.0465	2.0465
C3	1.3171	2.3611		2.2397	2.6335	1.3854	1.0750	3.2095	3.7085	2.1465
C4	1.3171	2.3611	2.2397		1.3854	2.6335	3.2095	1.0750	2.1465	3.7085
C5	2.3611	1.3171	2.6335	1.3854		2.2397	3.7085	2.1465	1.0750	3.2095
C6	2.3611	1.3171	1.3854	2.6335	2.2397		2.1465	3.7085	3.2095	1.0750
H7	2.0465	3.3308	1.0750	3.2095	3.7085	2.1465		4.0833	4.7834	2.4916
H8	2.0465	3.3308	3.2095	1.0750	2.1465	3.7085	4.0833		2.4916	4.7834
H9	3.3308	2.0465	3.7085	2.1465	1.0750	3.2095	4.7834	2.4916		4.0833
H10	3.3308	2.0465	2.1465	3.7085	3.2095	1.0750	2.4916	4.7834	4.0833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C6	121.760	N1	C3	H7	117.275
N1	C4	C5	121.760	N1	C4	H8	117.275
N2	C5	C4	121.760	N2	C5	H9	117.275
N2	C6	C3	121.760	N2	C6	H10	117.275
C3	N1	C4	116.479	C3	C6	H10	120.964
C4	C5	H9	120.964	C5	N2	C6	116.479
C5	C4	H8	120.964	C6	C3	H7	120.964

All results from a given calculation for C₄H₄N₂ (Pyrazine)

using model chemistry: HF/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	CHELPG	ESP
1	N	-0.320	-0.454	-0.447
2	N	-0.320	-0.454	-0.447
3	C	-0.072	0.186	0.159
4	C	-0.072	0.186	0.159
5	C	-0.072	0.186	0.159
6	C	-0.072	0.186	0.159
7	H	0.232	0.041	0.064
8	H	0.232	0.041	0.064
9	H	0.232	0.041	0.064
10	H	0.232	0.041	0.064

<r²>	113.067
(<r²>)^1/2	10.633

All results from a given calculation for C4H4N2 (Pyrazine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Pyrazine)