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	hartrees
Energy at 0K	-358.540303
Energy at 298.15K	-358.548349
HF Energy	-357.516026
Nuclear repulsion energy	251.868110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3023	15.75
2	A'	3157	2960	10.25
3	A'	3135	2940	11.10
4	A'	1844	1729	420.52
5	A'	1585	1486	1.27
6	A'	1560	1463	4.24
7	A'	1492	1399	1.90
8	A'	1460	1369	66.15
9	A'	1395	1308	230.00
10	A'	1190	1115	17.46
11	A'	1102	1033	94.86
12	A'	998	936	137.18
13	A'	932	874	69.67
14	A'	749	702	1.03
15	A'	593	556	3.74
16	A'	397	372	2.66
17	A'	239	224	0.42
18	A"	3237	3035	28.01
19	A"	3212	3012	5.18
20	A"	1548	1451	4.98
21	A"	1329	1246	0.56
22	A"	1224	1147	4.92
23	A"	851	798	0.01
24	A"	791	742	19.11
25	A"	265	248	0.52
26	A"	126	118	1.16
27	A"	103	97	0.36

Atom	x (Å)	y (Å)	z (Å)
N1	1.096	-0.294	0.000
O2	0.000	0.555	0.000
O3	2.148	0.294	0.000
O4	0.886	-1.490	0.000
C5	-1.274	-0.133	0.000
C6	-2.314	0.967	0.000
H7	-1.341	-0.764	0.885
H8	-1.341	-0.764	-0.885
H9	-3.308	0.521	0.000
H10	-2.213	1.592	0.885
H11	-2.213	1.592	-0.885

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3865	1.2059	1.2138	2.3749	3.6358	2.6345	2.6345	4.4786	3.9102	3.9102
O2	1.3865		2.1643	2.2287	1.4478	2.3506	2.0786	2.0786	3.3082	2.5991	2.5991
O3	1.2059	2.1643		2.1854	3.4487	4.5131	3.7519	3.7519	5.4611	4.6357	4.6357
O4	1.2138	2.2287	2.1854		2.5504	4.0345	2.5036	2.5036	4.6510	4.4592	4.4592
C5	2.3749	1.4478	3.4487	2.5504		1.5143	1.0885	1.0885	2.1368	2.1545	2.1545
C6	3.6358	2.3506	4.5131	4.0345	1.5143		2.1739	2.1739	1.0893	1.0882	1.0882
H7	2.6345	2.0786	3.7519	2.5036	1.0885	2.1739		1.7693	2.5105	2.5123	3.0729
H8	2.6345	2.0786	3.7519	2.5036	1.0885	2.1739	1.7693		2.5105	3.0729	2.5123
H9	4.4786	3.3082	5.4611	4.6510	2.1368	1.0893	2.5105	2.5105		1.7692	1.7692
H10	3.9102	2.5991	4.6357	4.4592	2.1545	1.0882	2.5123	3.0729	1.7692		1.7697
H11	3.9102	2.5991	4.6357	4.4592	2.1545	1.0882	3.0729	2.5123	1.7692	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.824	O2	N1	O3	113.018
O2	N1	O4	117.829	O2	C5	C6	105.013
O2	C5	H7	109.256	O2	C5	H8	109.256
O3	N1	O4	129.152	C5	C6	H9	109.224
C5	C6	H10	110.697	C5	C6	H11	110.697
C6	C5	H7	112.244	C6	C5	H8	112.244
H7	C5	H8	108.720	H9	C6	H10	108.679
H9	C6	H11	108.679	H10	C6	H11	108.815

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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