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	hartrees
Energy at 0K	-305.980294
Energy at 298.15K
HF Energy	-305.769168
Nuclear repulsion energy	236.790225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3191	23.21
2	A	3171	3171	7.38
3	A	3156	3156	13.44
4	A	3106	3106	32.40
5	A	3101	3101	19.19
6	A	3089	3089	6.34
7	A	1761	1761	280.56
8	A	1578	1578	0.46
9	A	1560	1560	5.56
10	A	1534	1534	10.06
11	A	1406	1406	3.90
12	A	1390	1390	0.17
13	A	1352	1352	2.89
14	A	1277	1277	4.71
15	A	1250	1250	2.13
16	A	1203	1203	3.56
17	A	1150	1150	153.00
18	A	1129	1129	73.22
19	A	1055	1055	15.79
20	A	983	983	54.77
21	A	942	942	8.84
22	A	914	914	14.86
23	A	881	881	36.92
24	A	793	793	12.85
25	A	669	669	3.16
26	A	644	644	6.84
27	A	530	530	4.46
28	A	475	475	2.92
29	A	195	195	4.02
30	A	147	147	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.901	-0.002	0.003
C2	-0.009	1.213	0.165
C3	-1.409	0.690	-0.212
C4	-1.322	-0.814	0.124
O5	0.114	-1.161	-0.042
O6	2.128	-0.042	-0.068
H7	0.348	2.033	-0.462
H8	0.038	1.547	1.208
H9	-1.589	0.827	-1.283
H10	-2.216	1.185	0.333
H11	-1.882	-1.458	-0.552
H12	-1.600	-1.031	1.159

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5272	2.4212	2.3698	1.4018	1.2298	2.1596	2.1445	2.9229	3.3518	3.1900	2.9405
C2	1.5272		1.5414	2.4164	2.3870	2.4892	1.0912	1.0969	2.1775	2.2138	3.3412	2.9251
C3	2.4212	1.5414		1.5443	2.4035	3.6149	2.2250	2.2011	1.0943	1.0924	2.2265	2.2087
C4	2.3698	2.4164	1.5443		1.4865	3.5409	3.3523	2.9329	2.1784	2.1999	1.0888	1.0933
O5	1.4018	2.3870	2.4035	1.4865		2.3048	3.2301	2.9841	2.8976	3.3276	2.0818	2.0964
O6	1.2298	2.4892	3.6149	3.5409	2.3048		2.7618	2.9196	4.0062	4.5318	4.2810	4.0473
H7	2.1596	1.0912	2.2250	3.3523	3.2301	2.7618		1.7669	2.4247	2.8151	4.1438	3.9755
H8	2.1445	1.0969	2.2011	2.9329	2.9841	2.9196	1.7669		3.0613	2.4447	3.9774	3.0543
H9	2.9229	2.1775	1.0943	2.1784	2.8976	4.0062	2.4247	3.0613		1.7698	2.4177	3.0683
H10	3.3518	2.2138	1.0924	2.1999	3.3276	4.5318	2.8151	2.4447	1.7698		2.8074	2.4433
H11	3.1900	3.3412	2.2265	1.0888	2.0818	4.2810	4.1438	3.9774	2.4177	2.8074		1.7861
H12	2.9405	2.9251	2.2087	1.0933	2.0964	4.0473	3.9755	3.0543	3.0683	2.4433	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.188	C1	C2	H7	110.017
C1	C2	H8	108.507	C1	O5	C4	110.237
C2	C1	O5	109.094	C2	C1	O6	128.756
C2	C3	C4	103.089	C2	C3	H9	110.259
C2	C3	H10	113.297	C3	C2	H7	114.294
C3	C2	H8	111.985	C3	C4	O5	104.924
C3	C4	H11	114.354	C3	C4	H12	112.611
C4	C3	H9	110.130	C4	C3	H10	111.956
O5	C1	O6	122.146	O5	C4	H11	106.858
O5	C4	H12	107.731	H7	C2	H8	107.708
H9	C3	H10	108.065	H11	C4	H12	109.873

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G

States and conformations

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