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	hartrees
Energy at 0K	-358.715359
Energy at 298.15K	-358.723276
HF Energy	-357.591938
Nuclear repulsion energy	250.682780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3120	3004
2	A'	3064	2950
3	A'	3041	2927
4	A'	1740	1675
5	A'	1547	1489
6	A'	1519	1462
7	A'	1451	1396
8	A'	1417	1364
9	A'	1329	1280
10	A'	1160	1117
11	A'	1066	1026
12	A'	945	910
13	A'	884	851
14	A'	719	692
15	A'	573	552
16	A'	384	370
17	A'	233	224
18	A"	3136	3018
19	A"	3112	2996
20	A"	1507	1451
21	A"	1311	1262
22	A"	1200	1155
23	A"	832	801
24	A"	760	731
25	A"	255	246
26	A"	118	114
27	A"	101	97

Atom	x (Å)	y (Å)	z (Å)
N1	1.105	-0.312	0.000
O2	0.000	0.569	0.000
O3	2.159	0.268	0.000
O4	0.876	-1.504	0.000
C5	-1.277	-0.117	0.000
C6	-2.318	0.990	0.000
H7	-1.347	-0.751	0.891
H8	-1.347	-0.751	-0.891
H9	-3.321	0.546	0.000
H10	-2.215	1.620	0.891
H11	-2.215	1.620	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4131	1.2035	1.2133	2.3904	3.6624	2.6459	2.6459	4.5083	3.9437	3.9437
O2	1.4131		2.1802	2.2500	1.4495	2.3560	2.0857	2.0857	3.3210	2.6091	2.6091
O3	1.2035	2.1802		2.1876	3.4582	4.5353	3.7589	3.7589	5.4874	4.6649	4.6649
O4	1.2133	2.2500	2.1876		2.5615	4.0525	2.5111	2.5111	4.6708	4.4844	4.4844
C5	2.3904	1.4495	3.4582	2.5615		1.5193	1.0959	1.0959	2.1483	2.1656	2.1656
C6	3.6624	2.3560	4.5353	4.0525	1.5193		2.1833	2.1833	1.0971	1.0955	1.0955
H7	2.6459	2.0857	3.7589	2.5111	1.0959	2.1833		1.7824	2.5238	2.5246	3.0900
H8	2.6459	2.0857	3.7589	2.5111	1.0959	2.1833	1.7824		2.5238	3.0900	2.5246
H9	4.5083	3.3210	5.4874	4.6708	2.1483	1.0971	2.5238	2.5238		1.7802	1.7802
H10	3.9437	2.6091	4.6649	4.4844	2.1656	1.0955	2.5246	3.0900	1.7802		1.7810
H11	3.9437	2.6091	4.6649	4.4844	2.1656	1.0955	3.0900	2.5246	1.7802	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.227	O2	N1	O3	112.619
O2	N1	O4	117.686	O2	C5	C6	105.018
O2	C5	H7	109.259	O2	C5	H8	109.259
O3	N1	O4	129.695	C5	C6	H9	109.329
C5	C6	H10	110.783	C5	C6	H11	110.783
C6	C5	H7	112.187	C6	C5	H8	112.187
H7	C5	H8	108.820	H9	C6	H10	108.569
H9	C6	H11	108.569	H10	C6	H11	108.751

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-311G*

States and conformations

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