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	hartrees
Energy at 0K	-346.059517
Energy at 298.15K	-346.068497
HF Energy	-344.701717
Nuclear repulsion energy	346.625212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3088	3.06
2	A'	3240	3076	9.38
3	A'	3232	3069	9.68
4	A'	3217	3054	7.04
5	A'	3208	3046	1.28
6	A'	3196	3034	17.00
7	A'	3050	2896	43.29
8	A'	1654	1571	66.08
9	A'	1636	1553	16.88
10	A'	1534	1457	42.15
11	A'	1528	1451	77.11
12	A'	1489	1414	9.11
13	A'	1481	1406	8.49
14	A'	1464	1390	8.24
15	A'	1339	1271	0.29
16	A'	1299	1234	225.06
17	A'	1215	1154	6.49
18	A'	1195	1134	10.45
19	A'	1175	1116	1.21
20	A'	1104	1048	13.68
21	A'	1089	1034	39.00
22	A'	1046	993	1.72
23	A'	1013	962	0.97
24	A'	800	759	15.18
25	A'	616	585	0.39
26	A'	555	527	5.15
27	A'	446	423	0.76
28	A'	267	253	2.28
29	A"	3128	2970	30.23
30	A"	1513	1437	7.28
31	A"	1189	1129	1.26
32	A"	958	910	0.00
33	A"	951	903	0.06
34	A"	890	846	4.99
35	A"	832	790	0.15
36	A"	762	723	70.40
37	A"	684	649	14.04
38	A"	517	491	8.44
39	A"	419	398	0.01
40	A"	289	274	0.19
41	A"	216	205	0.30
42	A"	95	90	4.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.543	0.000
C2	0.916	-0.510	0.000
C3	0.451	-1.828	0.000
C4	-0.912	-2.102	0.000
C5	-1.822	-1.041	0.000
C6	-1.373	0.272	0.000
O7	0.352	1.853	0.000
C8	1.735	2.124	0.000
H9	1.980	-0.320	0.000
H10	1.168	-2.637	0.000
H11	-1.264	-3.124	0.000
H12	-2.886	-1.239	0.000
H13	-2.062	1.105	0.000
H14	1.832	3.205	0.000
H15	2.225	1.720	0.889
H16	2.225	1.720	-0.889

	C1	C2	C3	C4	C5	C6	O7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3955	2.4129	2.7976	2.4143	1.3998	1.3565	2.3480	2.1595	3.3879	3.8782	3.3913	2.1377	3.2317	2.6696	2.6696
C2	1.3955		1.3976	2.4242	2.7894	2.4193	2.4292	2.7587	1.0800	2.1424	3.4037	3.8712	3.3881	3.8260	2.7343	2.7343
C3	2.4129	1.3976		1.3898	2.4050	2.7812	3.6818	4.1557	2.1469	1.0820	2.1494	3.3879	3.8620	5.2188	4.0653	4.0653
C4	2.7976	2.4242	1.3898		1.3980	2.4184	4.1518	4.9870	3.3962	2.1479	1.0806	2.1544	3.4071	5.9744	5.0239	5.0239
C5	2.4143	2.7894	2.4050	1.3980		1.3876	3.6194	4.7619	3.8693	3.3898	2.1560	1.0818	2.1594	5.6019	4.9793	4.9793
C6	1.3998	2.4193	2.7812	2.4184	1.3876		2.3399	3.6187	3.4047	3.8631	3.3973	2.1376	1.0811	4.3447	3.9793	3.9793
O7	1.3565	2.4292	3.6818	4.1518	3.6194	2.3399		1.4100	2.7153	4.5639	5.2322	4.4765	2.5273	2.0049	2.0775	2.0775
C8	2.3480	2.7587	4.1557	4.9870	4.7619	3.6187	1.4100		2.4570	4.7955	6.0447	5.7153	3.9322	1.0849	1.0923	1.0923
H9	2.1595	1.0800	2.1469	3.3962	3.8693	3.4047	2.7153	2.4570		2.4549	4.2870	4.9511	4.2859	3.5285	2.2395	2.2395
H10	3.3879	2.1424	1.0820	2.1479	3.3898	3.8631	4.5639	4.7955	2.4549		2.4805	4.2885	4.9439	5.8800	4.5713	4.5713
H11	3.8782	3.4037	2.1494	1.0806	2.1560	3.3973	5.2322	6.0447	4.2870	2.4805		2.4864	4.3032	7.0453	6.0355	6.0355
H12	3.3913	3.8712	3.3879	2.1544	1.0818	2.1376	4.4765	5.7153	4.9511	4.2885	2.4864		2.4841	6.4810	5.9719	5.9719
H13	2.1377	3.3881	3.8620	3.4071	2.1594	1.0811	2.5273	3.9322	4.2859	4.9439	4.3032	2.4841		4.4245	4.4214	4.4214
H14	3.2317	3.8260	5.2188	5.9744	5.6019	4.3447	2.0049	1.0849	3.5285	5.8800	7.0453	6.4810	4.4245		1.7744	1.7744
H15	2.6696	2.7343	4.0653	5.0239	4.9793	3.9793	2.0775	1.0923	2.2395	4.5713	6.0355	5.9719	4.4214	1.7744		1.7779
H16	2.6696	2.7343	4.0653	5.0239	4.9793	3.9793	2.0775	1.0923	2.2395	4.5713	6.0355	5.9719	4.4214	1.7744	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.506	C1	C2	H9	120.935
C1	C6	C5	120.029	C1	C6	H13	118.444
C1	O7	C8	116.132	C2	C1	C6	119.880
C2	C1	O7	123.937	C2	C3	C4	120.844
C2	C3	H10	118.994	C3	C2	H9	119.559
C3	C4	C5	119.243	C3	C4	H11	120.411
C4	C3	H10	120.163	C4	C5	C6	120.498
C4	C5	H12	120.100	C5	C4	H11	120.346
C5	C6	H13	121.527	C6	C1	O7	116.183
C6	C5	H12	119.401	O7	C8	H14	106.218
O7	C8	H15	111.623	O7	C8	H16	111.623
H14	C8	H15	109.177	H14	C8	H16	109.177
H15	C8	H16	108.947

All results from a given calculation for C₆H₅OCH₃ (Anisole)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅OCH₃ (Anisole)