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	hartrees
Energy at 0K	-305.081382
Energy at 298.15K
HF Energy	-304.552601
Nuclear repulsion energy	237.893079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3034	23.66
2	A	3224	3016	6.30
3	A	3207	3000	13.96
4	A	3164	2959	28.68
5	A	3153	2949	16.70
6	A	3147	2943	8.53
7	A	1869	1748	354.76
8	A	1623	1518	0.46
9	A	1601	1497	6.35
10	A	1576	1474	10.18
11	A	1459	1365	8.70
12	A	1434	1341	0.17
13	A	1399	1308	3.22
14	A	1314	1229	8.79
15	A	1292	1209	3.85
16	A	1244	1164	8.84
17	A	1220	1141	256.99
18	A	1171	1095	12.24
19	A	1094	1023	31.85
20	A	1044	977	53.33
21	A	969	906	10.02
22	A	945	884	11.92
23	A	915	856	21.52
24	A	831	778	11.46
25	A	699	653	6.16
26	A	671	628	8.00
27	A	552	516	7.73
28	A	498	466	4.78
29	A	191	179	4.76
30	A	143	133	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.898	-0.008	0.003
C2	-0.002	1.214	0.158
C3	-1.407	0.690	-0.203
C4	-1.313	-0.819	0.118
O5	0.114	-1.149	-0.040
O6	2.113	-0.045	-0.066
H7	0.352	2.022	-0.481
H8	0.054	1.558	1.196
H9	-1.606	0.838	-1.267
H10	-2.204	1.178	0.360
H11	-1.866	-1.456	-0.568
H12	-1.600	-1.047	1.146

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5251	2.4172	2.3575	1.3852	1.2183	2.1567	2.1419	2.9320	3.3398	3.1714	2.9367
C2	1.5251		1.5427	2.4196	2.3743	2.4720	1.0893	1.0946	2.1783	2.2117	3.3359	2.9397
C3	2.4172	1.5427		1.5464	2.3928	3.5994	2.2241	2.2010	1.0926	1.0905	2.2247	2.2079
C4	2.3575	2.4196	1.5464		1.4729	3.5173	3.3473	2.9466	2.1801	2.2004	1.0868	1.0910
O5	1.3852	2.3743	2.3928	1.4729		2.2840	3.2106	2.9768	2.9009	3.3089	2.0715	2.0865
O6	1.2183	2.4720	3.5994	3.5173	2.2840		2.7472	2.8993	4.0071	4.5076	4.2512	4.0324
H7	2.1567	1.0893	2.2241	3.3473	3.2106	2.7472		1.7648	2.4193	2.8204	4.1257	3.9845
H8	2.1419	1.0946	2.2010	2.9466	2.9768	2.8993	1.7648		3.0558	2.4374	3.9849	3.0865
H9	2.9320	2.1783	1.0926	2.1801	2.9009	4.0071	2.4193	3.0558		1.7665	2.4126	3.0622
H10	3.3398	2.2117	1.0905	2.2004	3.3089	4.5076	2.8204	2.4374	1.7665		2.8128	2.4358
H11	3.1714	3.3359	2.2247	1.0868	2.0715	4.2512	4.1257	3.9849	2.4126	2.8128		1.7814
H12	2.9367	2.9397	2.2079	1.0910	2.0865	4.0324	3.9845	3.0865	3.0622	2.4358	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.982	C1	C2	H7	110.040
C1	C2	H8	108.580	C1	O5	C4	111.108
C2	C1	O5	109.244	C2	C1	O6	128.248
C2	C3	C4	103.124	C2	C3	H9	110.334
C2	C3	H10	113.146	C3	C2	H7	114.248
C3	C2	H8	112.023	C3	C4	O5	104.813
C3	C4	H11	114.186	C3	C4	H12	112.539
C4	C3	H9	110.220	C4	C3	H10	111.956
O5	C1	O6	122.504	O5	C4	H11	107.087
O5	C4	H12	108.010	H7	C2	H8	107.822
H9	C3	H10	108.025	H11	C4	H12	109.769

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)

using model chemistry: CID/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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All results from a given calculation for C4H6O2 (γ–Butyrolactone)

using model chemistry: CID/6-31G

States and conformations

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)