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	hartrees
Energy at 0K	-266.943361
Energy at 298.15K	-266.950430
HF Energy	-266.943361
Nuclear repulsion energy	183.675851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	2978	13.88
2	A'	3288	2975	22.67
3	A'	3197	2892	39.28
4	A'	3187	2883	4.12
5	A'	1970	1782	366.16
6	A'	1623	1468	7.78
7	A'	1612	1458	27.65
8	A'	1586	1435	13.94
9	A'	1535	1389	77.74
10	A'	1412	1277	424.67
11	A'	1327	1200	5.29
12	A'	1192	1078	81.96
13	A'	1071	969	4.84
14	A'	942	852	17.85
15	A'	694	627	10.89
16	A'	454	411	7.65
17	A'	303	274	13.99
18	A"	3269	2957	29.10
19	A"	3247	2937	10.69
20	A"	1612	1458	8.03
21	A"	1597	1445	6.31
22	A"	1289	1166	3.40
23	A"	1174	1062	8.97
24	A"	671	607	11.76
25	A"	189	171	5.05
26	A"	161	146	2.92
27	A"	89	81	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.129	1.477	0.000
C2	0.000	0.486	0.000
O3	-1.150	0.766	0.000
O4	0.445	-0.759	0.000
C5	-0.518	-1.795	0.000
H6	0.730	2.479	0.000
H7	1.748	1.321	0.874
H8	1.748	1.321	-0.874
H9	0.038	-2.718	0.000
H10	-1.142	-1.734	0.880
H11	-1.142	-1.734	-0.880

	C1	C2	O3	O4	C5	H6	H7	H8	H9	H10	H11
C1		1.5022	2.3869	2.3387	3.6631	1.0777	1.0823	1.0823	4.3345	4.0299	4.0299
C2	1.5022		1.1835	1.3221	2.3387	2.1223	2.1252	2.1252	3.2039	2.6467	2.6467
O3	2.3869	1.1835		2.2065	2.6374	2.5432	3.0771	3.0771	3.6808	2.6504	2.6504
O4	2.3387	1.3221	2.2065		1.4141	3.2504	2.6059	2.6059	2.0004	2.0592	2.0592
C5	3.6631	2.3387	2.6374	1.4141		4.4520	3.9509	3.9509	1.0778	1.0798	1.0798
H6	1.0777	2.1223	2.5432	3.2504	4.4520		1.7714	1.7714	5.2423	4.6930	4.6930
H7	1.0823	2.1252	3.0771	2.6059	3.9509	1.7714		1.7479	4.4724	4.2052	4.5562
H8	1.0823	2.1252	3.0771	2.6059	3.9509	1.7714	1.7479		4.4724	4.5562	4.2052
H9	4.3345	3.2039	3.6808	2.0004	1.0778	5.2423	4.4724	4.4724		1.7700	1.7700
H10	4.0299	2.6467	2.6504	2.0592	1.0798	4.6930	4.2052	4.5562	1.7700		1.7597
H11	4.0299	2.6467	2.6504	2.0592	1.0798	4.6930	4.5562	4.2052	1.7700	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	125.012	C1	C2	O4	111.642
C2	C1	H6	109.601	C2	C1	H7	109.560
C2	C1	H8	109.560	C2	O4	C5	117.424
O3	C2	O4	123.346	O4	C5	H9	105.999
O4	C5	H10	110.600	O4	C5	H11	110.600
H6	C1	H7	110.190	H6	C1	H8	110.190
H7	C1	H8	107.712	H9	C5	H10	110.242
H9	C5	H11	110.242	H10	C5	H11	109.132

All results from a given calculation for CH₃COOCH₃ (methyl acetate)

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	-0.854
2	C	1.254
3	O	-1.351
4	O	-1.114
5	C	-1.334
6	H	0.464
7	H	0.464
8	H	0.464
9	H	0.607
10	H	0.700
11	H	0.700

	x	y	z	Total
	1.812	-1.041	0.000	2.089
CHELPG
AIM
ESP

	x	y	z
x	6.430	0.332	0.000
y	0.332	7.009	0.000
z	0.000	0.000	5.072

<r²>	118.402
(<r²>)^1/2	10.881

All results from a given calculation for CH3COOCH3 (methyl acetate)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃COOCH₃ (methyl acetate)