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	hartrees
Energy at 0K	-358.639948
Energy at 298.15K	-358.647857
HF Energy	-357.533543
Nuclear repulsion energy	250.090651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3041
2	A'	3078	2965
3	A'	3066	2953
4	A'	1754	1690
5	A'	1518	1462
6	A'	1492	1437
7	A'	1427	1375
8	A'	1390	1339
9	A'	1326	1277
10	A'	1148	1106
11	A'	1073	1033
12	A'	934	900
13	A'	865	833
14	A'	705	679
15	A'	565	544
16	A'	379	365
17	A'	230	222
18	A"	3167	3051
19	A"	3134	3018
20	A"	1476	1422
21	A"	1285	1238
22	A"	1180	1136
23	A"	824	794
24	A"	762	734
25	A"	260	251
26	A"	122	118
27	A"	101	97

Atom	x (Å)	y (Å)	z (Å)
N1	1.108	-0.316	0.000
O2	0.000	0.575	0.000
O3	2.166	0.264	0.000
O4	0.869	-1.508	0.000
C5	-1.274	-0.113	0.000
C6	-2.321	0.992	0.000
H7	-1.349	-0.754	0.896
H8	-1.349	-0.754	-0.896
H9	-3.329	0.541	0.000
H10	-2.217	1.627	0.897
H11	-2.217	1.627	-0.897

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4221	1.2061	1.2152	2.3910	3.6699	2.6520	2.6520	4.5188	3.9542	3.9542
O2	1.4221		2.1878	2.2568	1.4482	2.3579	2.0952	2.0952	3.3289	2.6125	2.6125
O3	1.2061	2.1878		2.1954	3.4603	4.5450	3.7673	3.7673	5.5013	4.6764	4.6764
O4	1.2152	2.2568	2.1954		2.5569	4.0523	2.5082	2.5082	4.6707	4.4889	4.4889
C5	2.3910	1.4482	3.4603	2.5569		1.5218	1.1042	1.1042	2.1560	2.1724	2.1724
C6	3.6699	2.3579	4.5450	4.0523	1.5218		2.1896	2.1896	1.1044	1.1035	1.1035
H7	2.6520	2.0952	3.7673	2.5082	1.1042	2.1896		1.7922	2.5292	2.5338	3.1038
H8	2.6520	2.0952	3.7673	2.5082	1.1042	2.1896	1.7922		2.5292	3.1038	2.5338
H9	4.5188	3.3289	5.5013	4.6707	2.1560	1.1044	2.5292	2.5292		1.7943	1.7943
H10	3.9542	2.6125	4.6764	4.4889	2.1724	1.1035	2.5338	3.1038	1.7943		1.7932
H11	3.9542	2.6125	4.6764	4.4889	2.1724	1.1035	3.1038	2.5338	1.7943	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.814	O2	N1	O3	112.441
O2	N1	O4	117.458	O2	C5	C6	105.076
O2	C5	H7	109.609	O2	C5	H8	109.609
O3	N1	O4	130.101	C5	C6	H9	109.333
C5	C6	H10	110.674	C5	C6	H11	110.674
C6	C5	H7	111.999	C6	C5	H8	111.999
H7	C5	H8	108.489	H9	C6	H10	108.715
H9	C6	H11	108.715	H10	C6	H11	108.683

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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