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	hartrees
Energy at 0K	-345.645664
Energy at 298.15K	-345.654346
HF Energy	-344.580582
Nuclear repulsion energy	345.266032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3079	5.08
2	A'	3252	3067	7.48
3	A'	3246	3061	16.01
4	A'	3231	3046	15.76
5	A'	3230	3046	15.52
6	A'	3222	3039	2.46
7	A'	3086	2910	40.36
8	A'	1684	1588	58.25
9	A'	1665	1570	15.82
10	A'	1573	1483	1.18
11	A'	1561	1472	108.94
12	A'	1522	1435	20.47
13	A'	1513	1427	4.05
14	A'	1471	1388	10.42
15	A'	1366	1288	1.52
16	A'	1314	1239	219.69
17	A'	1233	1163	10.39
18	A'	1229	1158	5.41
19	A'	1211	1142	2.03
20	A'	1128	1064	8.57
21	A'	1095	1032	45.07
22	A'	1063	1002	2.82
23	A'	1023	965	0.83
24	A'	807	761	15.53
25	A'	629	593	0.35
26	A'	561	529	5.79
27	A'	448	422	0.73
28	A'	267	252	2.68
29	A"	3167	2986	35.95
30	A"	1555	1467	5.51
31	A"	1202	1133	0.68
32	A"	885	835	0.37
33	A"	879	829	0.54
34	A"	832	785	1.09
35	A"	801	756	0.52
36	A"	731	689	90.19
37	A"	523	493	0.87
38	A"	458	432	4.31
39	A"	404	381	0.01
40	A"	286	270	0.22
41	A"	212	200	0.53
42	A"	84	79	5.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.532	0.000
C2	0.930	-0.513	0.000
C3	0.473	-1.836	0.000
C4	-0.891	-2.122	0.000
C5	-1.811	-1.068	0.000
C6	-1.373	0.252	0.000
O7	0.325	1.862	0.000
C8	1.708	2.180	0.000
H9	1.997	-0.317	0.000
H10	1.200	-2.645	0.000
H11	-1.235	-3.152	0.000
H12	-2.879	-1.275	0.000
H13	-2.071	1.084	0.000
H14	1.755	3.269	0.000
H15	2.210	1.793	0.894
H16	2.210	1.793	-0.894

	C1	C2	C3	C4	C5	C6	O7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3992	2.4147	2.7996	2.4170	1.4014	1.3690	2.3736	2.1700	3.3961	3.8862	3.3993	2.1435	3.2507	2.6969	2.6969
C2	1.3992		1.3992	2.4293	2.7967	2.4266	2.4514	2.8037	1.0851	2.1486	3.4136	3.8842	3.3998	3.8709	2.7849	2.7849
C3	2.4147	1.3992		1.3931	2.4098	2.7865	3.7009	4.2017	2.1518	1.0877	2.1567	3.3983	3.8729	5.2629	4.1210	4.1210
C4	2.7996	2.4293	1.3931		1.3995	2.4221	4.1653	5.0262	3.4053	2.1547	1.0866	2.1611	3.4168	6.0047	5.0732	5.0732
C5	2.4170	2.7967	2.4098	1.3995		1.3905	3.6260	4.7894	3.8817	3.3990	2.1625	1.0875	2.1680	5.6146	5.0155	5.0155
C6	1.4014	2.4266	2.7865	2.4221	1.3905		2.3400	3.6351	3.4176	3.8741	3.4068	2.1446	1.0867	4.3458	4.0017	4.0017
O7	1.3690	2.4514	3.7009	4.1653	3.6260	2.3400		1.4198	2.7468	4.5912	5.2516	4.4840	2.5188	2.0059	2.0881	2.0881
C8	2.3736	2.8037	4.2017	5.0262	4.7894	3.6351	1.4198		2.5136	4.8518	6.0911	5.7431	3.9352	1.0894	1.0962	1.0962
H9	2.1700	1.0851	2.1518	3.4053	3.8817	3.4176	2.7468	2.5136		2.4608	4.2998	4.9692	4.3026	3.5936	2.3009	2.3009
H10	3.3961	2.1486	1.0877	2.1547	3.3990	3.8741	4.5912	4.8518	2.4608		2.4874	4.3025	4.9604	5.9395	4.6380	4.6380
H11	3.8862	3.4136	2.1567	1.0866	2.1625	3.4068	5.2516	6.0911	4.2998	2.4874		2.4950	4.3184	7.0831	6.0929	6.0929
H12	3.3993	3.8842	3.3983	2.1611	1.0875	2.1446	4.4840	5.7431	4.9692	4.3025	2.4950		2.4941	6.4899	6.0092	6.0092
H13	2.1435	3.3998	3.8729	3.4168	2.1680	1.0867	2.5188	3.9352	4.3026	4.9604	4.3184	2.4941		4.4056	4.4308	4.4308
H14	3.2507	3.8709	5.2629	6.0047	5.6146	4.3458	2.0059	1.0894	3.5936	5.9395	7.0831	6.4899	4.4056		1.7848	1.7848
H15	2.6969	2.7849	4.1210	5.0732	5.0155	4.0017	2.0881	1.0962	2.3009	4.6380	6.0929	6.0092	4.4308	1.7848		1.7881
H16	2.6969	2.7849	4.1210	5.0732	5.0155	4.0017	2.0881	1.0962	2.3009	4.6380	6.0929	6.0092	4.4308	1.7848	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.290	C1	C2	H9	121.214
C1	C6	C5	119.925	C1	C6	H13	118.426
C1	O7	C8	116.657	C2	C1	C6	120.096
C2	C1	O7	124.638	C2	C3	C4	120.917
C2	C3	H10	119.002	C3	C2	H9	119.496
C3	C4	C5	119.288	C3	C4	H11	120.358
C4	C3	H10	120.081	C4	C5	C6	120.482
C4	C5	H12	120.156	C5	C4	H11	120.354
C5	C6	H13	121.649	C6	C1	O7	115.265
C6	C5	H12	119.362	O7	C8	H14	105.389
O7	C8	H15	111.535	O7	C8	H16	111.535
H14	C8	H15	109.497	H14	C8	H16	109.497
H15	C8	H16	109.302

All results from a given calculation for C₆H₅OCH₃ (Anisole)

using model chemistry: MP2/6-31G*

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 C6H5OCH3 (Anisole)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₆H₅OCH₃ (Anisole)