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	hartrees
Energy at 0K	-356.200428
Energy at 298.15K	-356.208070
HF Energy	-355.463155
Nuclear repulsion energy	242.073237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3020	15.45
2	A'	3084	2989	3.97
3	A'	3048	2954	9.53
4	A'	1593	1544	6.94
5	A'	1578	1530	6.60
6	A'	1481	1435	7.88
7	A'	1410	1366	5.61
8	A'	1301	1261	200.27
9	A'	1148	1113	2.54
10	A'	1081	1048	194.19
11	A'	1001	970	54.04
12	A'	908	880	36.18
13	A'	792	768	65.06
14	A'	643	623	2.25
15	A'	492	477	2.18
16	A'	364	353	3.92
17	A'	222	215	0.35
18	A"	3141	3044	31.08
19	A"	3117	3021	0.20
20	A"	1566	1518	6.23
21	A"	1317	1277	0.11
22	A"	1199	1162	4.46
23	A"	867	840	0.83
24	A"	637	617	15.18
25	A"	249	241	0.57
26	A"	115	111	2.06
27	A"	95	92	0.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.133	-0.338	0.000
O2	0.000	0.648	0.000
O3	2.272	0.209	0.000
O4	0.811	-1.578	0.000
C5	-1.308	-0.091	0.000
C6	-2.359	1.034	0.000
H7	-1.371	-0.721	0.893
H8	-1.371	-0.721	-0.893
H9	-3.366	0.595	0.000
H10	-2.241	1.660	0.892
H11	-2.241	1.660	-0.892

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5018	1.2637	1.2817	2.4532	3.7516	2.6857	2.6857	4.5943	4.0210	4.0210
O2	1.5018		2.3140	2.3697	1.5022	2.3904	2.1332	2.1332	3.3664	2.6156	2.6156
O3	1.2637	2.3140		2.3087	3.5924	4.7039	3.8643	3.8643	5.6510	4.8235	4.8235
O4	1.2817	2.3697	2.3087		2.5891	4.1077	2.5087	2.5087	4.7082	4.5385	4.5385
C5	2.4532	1.5022	3.5924	2.5891		1.5392	1.0946	1.0946	2.1690	2.1753	2.1753
C6	3.7516	2.3904	4.7039	4.1077	1.5392		2.2027	2.2027	1.0985	1.0968	1.0968
H7	2.6857	2.1332	3.8643	2.5087	1.0946	2.2027		1.7855	2.5507	2.5348	3.1003
H8	2.6857	2.1332	3.8643	2.5087	1.0946	2.2027	1.7855		2.5507	3.1003	2.5348
H9	4.5943	3.3664	5.6510	4.7082	2.1690	1.0985	2.5507	2.5507		1.7885	1.7885
H10	4.0210	2.6156	4.8235	4.5385	2.1753	1.0968	2.5348	3.1003	1.7885		1.7850
H11	4.0210	2.6156	4.8235	4.5385	2.1753	1.0968	3.1003	2.5348	1.7885	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	109.503	O2	N1	O3	113.314
O2	N1	O4	116.494	O2	C5	C6	103.612
O2	C5	H7	109.470	O2	C5	H8	109.470
O3	N1	O4	130.192	C5	C6	H9	109.494
C5	C6	H10	110.088	C5	C6	H11	110.088
C6	C5	H7	112.408	C6	C5	H8	112.408
H7	C5	H8	109.298	H9	C6	H10	109.112
H9	C6	H11	109.112	H10	C6	H11	108.924

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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