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	hartrees
Energy at 0K	-358.531278
Energy at 298.15K	-358.539278
HF Energy	-357.506337
Nuclear repulsion energy	251.201237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3010	15.09
2	A'	3115	2959	8.52
3	A'	3090	2935	10.48
4	A'	1774	1685	406.13
5	A'	1572	1493	2.46
6	A'	1549	1471	5.53
7	A'	1481	1407	0.78
8	A'	1446	1373	47.47
9	A'	1375	1306	233.67
10	A'	1181	1122	16.14
11	A'	1089	1034	81.42
12	A'	982	932	118.62
13	A'	917	871	83.97
14	A'	737	700	2.00
15	A'	583	554	3.71
16	A'	394	375	2.77
17	A'	238	226	0.40
18	A"	3185	3025	28.52
19	A"	3164	3005	1.64
20	A"	1537	1460	6.70
21	A"	1321	1255	0.32
22	A"	1218	1157	4.89
23	A"	851	808	0.06
24	A"	784	745	18.94
25	A"	264	251	0.49
26	A"	126	120	1.24
27	A"	105	99	0.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.098	-0.298	0.000
O2	0.000	0.559	0.000
O3	2.154	0.289	0.000
O4	0.882	-1.496	0.000
C5	-1.278	-0.130	0.000
C6	-2.314	0.974	0.000
H7	-1.344	-0.764	0.889
H8	-1.344	-0.764	-0.889
H9	-3.316	0.532	0.000
H10	-2.210	1.603	0.889
H11	-2.210	1.603	-0.889

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3927	1.2085	1.2173	2.3815	3.6410	2.6398	2.6398	4.4911	3.9178	3.9178
O2	1.3927		2.1711	2.2367	1.4520	2.3508	2.0848	2.0848	3.3162	2.6013	2.6013
O3	1.2085	2.1711		2.1917	3.4576	4.5203	3.7595	3.7595	5.4757	4.6442	4.6442
O4	1.2173	2.2367	2.1917		2.5559	4.0397	2.5066	2.5066	4.6626	4.4680	4.4680
C5	2.3815	1.4520	3.4576	2.5559		1.5143	1.0939	1.0939	2.1430	2.1600	2.1600
C6	3.6410	2.3508	4.5203	4.0397	1.5143		2.1800	2.1800	1.0957	1.0943	1.0943
H7	2.6398	2.0848	3.7595	2.5066	1.0939	2.1800		1.7787	2.5217	2.5207	3.0851
H8	2.6398	2.0848	3.7595	2.5066	1.0939	2.1800	1.7787		2.5217	3.0851	2.5207
H9	4.4911	3.3162	5.4757	4.6626	2.1430	1.0957	2.5217	2.5217		1.7783	1.7783
H10	3.9178	2.6013	4.6442	4.4680	2.1600	1.0943	2.5207	3.0851	1.7783		1.7789
H11	3.9178	2.6013	4.6442	4.4680	2.1600	1.0943	3.0851	2.5207	1.7783	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.672	O2	N1	O3	112.967
O2	N1	O4	117.798	O2	C5	C6	104.822
O2	C5	H7	109.143	O2	C5	H8	109.143
O3	N1	O4	129.235	C5	C6	H9	109.338
C5	C6	H10	110.767	C5	C6	H11	110.767
C6	C5	H7	112.410	C6	C5	H8	112.410
H7	C5	H8	108.782	H9	C6	H10	108.587
H9	C6	H11	108.587	H10	C6	H11	108.737

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

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

States and conformations

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