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	hartrees
Energy at 0K	-358.806237
Energy at 298.15K	-358.814233
HF Energy	-357.600145
Nuclear repulsion energy	251.413347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3028	13.16
2	A'	3111	2951	12.31
3	A'	3099	2940	11.07
4	A'	1876	1780	223.48
5	A'	1548	1469	3.22
6	A'	1521	1443	4.55
7	A'	1450	1375	1.23
8	A'	1414	1341	13.32
9	A'	1319	1251	252.57
10	A'	1172	1112	23.34
11	A'	1089	1033	65.98
12	A'	956	907	54.66
13	A'	880	834	279.53
14	A'	734	697	28.57
15	A'	585	555	0.27
16	A'	387	367	0.10
17	A'	234	222	0.44
18	A"	3204	3039	21.25
19	A"	3168	3005	10.45
20	A"	1503	1425	7.01
21	A"	1321	1254	1.03
22	A"	1205	1143	4.51
23	A"	844	801	0.04
24	A"	770	730	11.79
25	A"	265	251	0.56
26	A"	126	120	1.34
27	A"	102	97	0.17

Atom	x (Å)	y (Å)	z (Å)
N1	1.100	-0.319	0.000
O2	0.000	0.566	0.000
O3	2.156	0.260	0.000
O4	0.860	-1.506	0.000
C5	-1.270	-0.107	0.000
C6	-2.303	0.999	0.000
H7	-1.351	-0.739	0.887
H8	-1.351	-0.739	-0.887
H9	-3.303	0.558	0.000
H10	-2.197	1.624	0.888
H11	-2.197	1.624	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4118	1.2046	1.2110	2.3792	3.6496	2.6399	2.6399	4.4896	3.9286	3.9286
O2	1.4118		2.1779	2.2435	1.4367	2.3436	2.0770	2.0770	3.3031	2.5950	2.5950
O3	1.2046	2.1779		2.1904	3.4455	4.5204	3.7528	3.7528	5.4675	4.6474	4.6474
O4	1.2110	2.2435	2.1904		2.5487	4.0354	2.5029	2.5029	4.6471	4.4649	4.4649
C5	2.3792	1.4367	3.4455	2.5487		1.5135	1.0926	1.0926	2.1393	2.1551	2.1551
C6	3.6496	2.3436	4.5204	4.0354	1.5135		2.1715	2.1715	1.0927	1.0912	1.0912
H7	2.6399	2.0770	3.7528	2.5029	1.0926	2.1715		1.7748	2.5063	2.5104	3.0746
H8	2.6399	2.0770	3.7528	2.5029	1.0926	2.1715	1.7748		2.5063	3.0746	2.5104
H9	4.4896	3.3031	5.4675	4.6471	2.1393	1.0927	2.5063	2.5063		1.7747	1.7747
H10	3.9286	2.5950	4.6474	4.4649	2.1551	1.0912	2.5104	3.0746	1.7747		1.7752
H11	3.9286	2.5950	4.6474	4.4649	2.1551	1.0912	3.0746	2.5104	1.7747	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.279	O2	N1	O3	112.457
O2	N1	O4	117.402	O2	C5	C6	105.166
O2	C5	H7	109.653	O2	C5	H8	109.653
O3	N1	O4	130.141	C5	C6	H9	109.274
C5	C6	H10	110.619	C5	C6	H11	110.619
C6	C5	H7	111.847	C6	C5	H8	111.847
H7	C5	H8	108.619	H9	C6	H10	108.710
H9	C6	H11	108.710	H10	C6	H11	108.864

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)

using model chemistry: MP2=FULL/6-311G**

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 C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)