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	hartrees
Energy at 0K	-358.569770
Energy at 298.15K	-358.577663
HF Energy	-357.501908
Nuclear repulsion energy	249.795679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3152	3059
2	A'	3089	2999
3	A'	3071	2981
4	A'	1732	1681
5	A'	1562	1517
6	A'	1540	1495
7	A'	1467	1424
8	A'	1423	1381
9	A'	1328	1289
10	A'	1168	1134
11	A'	1070	1039
12	A'	949	921
13	A'	874	849
14	A'	708	687
15	A'	564	547
16	A'	384	372
17	A'	232	225
18	A"	3166	3073
19	A"	3140	3048
20	A"	1529	1485
21	A"	1308	1270
22	A"	1207	1172
23	A"	843	819
24	A"	750	728
25	A"	261	253
26	A"	123	119
27	A"	99	96

Atom	x (Å)	y (Å)	z (Å)
N1	1.102	-0.314	0.000
O2	0.000	0.572	0.000
O3	2.171	0.267	0.000
O4	0.867	-1.515	0.000
C5	-1.282	-0.115	0.000
C6	-2.314	0.996	0.000
H7	-1.352	-0.749	0.891
H8	-1.352	-0.749	-0.891
H9	-3.320	0.557	0.000
H10	-2.207	1.625	0.891
H11	-2.207	1.625	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4144	1.2159	1.2245	2.3929	3.6595	2.6469	2.6469	4.5074	3.9380	3.9380
O2	1.4144		2.1924	2.2602	1.4546	2.3530	2.0897	2.0897	3.3200	2.6027	2.6027
O3	1.2159	2.1924		2.2084	3.4741	4.5444	3.7728	3.7728	5.4986	4.6699	4.6699
O4	1.2245	2.2602	2.2084		2.5648	4.0530	2.5101	2.5101	4.6713	4.4838	4.4838
C5	2.3929	1.4546	3.4741	2.5648		1.5167	1.0959	1.0959	2.1458	2.1627	2.1627
C6	3.6595	2.3530	4.5444	4.0530	1.5167		2.1835	2.1835	1.0972	1.0957	1.0957
H7	2.6469	2.0897	3.7728	2.5101	1.0959	2.1835		1.7818	2.5248	2.5239	3.0894
H8	2.6469	2.0897	3.7728	2.5101	1.0959	2.1835	1.7818		2.5248	3.0894	2.5239
H9	4.5074	3.3200	5.4986	4.6713	2.1458	1.0972	2.5248	2.5248		1.7811	1.7811
H10	3.9380	2.6027	4.6699	4.4838	2.1627	1.0957	2.5239	3.0894	1.7811		1.7815
H11	3.9380	2.6027	4.6699	4.4838	2.1627	1.0957	3.0894	2.5239	1.7811	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.027	O2	N1	O3	112.705
O2	N1	O4	117.675	O2	C5	C6	104.710
O2	C5	H7	109.226	O2	C5	H8	109.226
O3	N1	O4	129.620	C5	C6	H9	109.303
C5	C6	H10	110.728	C5	C6	H11	110.728
C6	C5	H7	112.390	C6	C5	H8	112.390
H7	C5	H8	108.773	H9	C6	H10	108.630
H9	C6	H11	108.630	H10	C6	H11	108.769

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

using model chemistry: CCSD(T)=FULL/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 C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

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