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	hartrees
Energy at 0K	-358.591970
Energy at 298.15K	-358.599962
HF Energy	-357.536707
Nuclear repulsion energy	251.039958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3037	16.04
2	A'	3095	2969	11.53
3	A'	3075	2951	14.35
4	A'	1762	1690	409.23
5	A'	1526	1464	0.96
6	A'	1500	1439	4.07
7	A'	1443	1384	5.00
8	A'	1409	1352	65.62
9	A'	1356	1301	202.10
10	A'	1158	1111	17.74
11	A'	1085	1041	69.94
12	A'	954	916	94.84
13	A'	898	862	143.79
14	A'	730	700	10.09
15	A'	580	557	1.68
16	A'	388	372	1.09
17	A'	235	225	0.34
18	A"	3175	3046	29.05
19	A"	3149	3021	7.20
20	A"	1483	1423	5.59
21	A"	1296	1243	0.88
22	A"	1189	1141	4.78
23	A"	831	797	0.05
24	A"	789	757	18.76
25	A"	262	251	0.54
26	A"	124	119	1.16
27	A"	106	102	0.21

Atom	x (Å)	y (Å)	z (Å)
N1	1.105	-0.303	0.000
O2	0.000	0.564	0.000
O3	2.153	0.284	0.000
O4	0.883	-1.494	0.000
C5	-1.272	-0.127	0.000
C6	-2.322	0.974	0.000
H7	-1.343	-0.767	0.896
H8	-1.343	-0.767	-0.896
H9	-3.328	0.519	0.000
H10	-2.221	1.609	0.896
H11	-2.221	1.609	-0.896

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4043	1.2014	1.2111	2.3832	3.6568	2.6474	2.6474	4.5083	3.9394	3.9394
O2	1.4043		2.1712	2.2391	1.4476	2.3578	2.0923	2.0923	3.3283	2.6131	2.6131
O3	1.2014	2.1712		2.1846	3.4496	4.5278	3.7587	3.7587	5.4860	4.6574	4.6574
O4	1.2111	2.2391	2.1846		2.5518	4.0446	2.5069	2.5069	4.6673	4.4793	4.4793
C5	2.3832	1.4476	3.4496	2.5518		1.5211	1.1033	1.1033	2.1551	2.1719	2.1719
C6	3.6568	2.3578	4.5278	4.0446	1.5211		2.1890	2.1890	1.1039	1.1032	1.1032
H7	2.6474	2.0923	3.7587	2.5069	1.1033	2.1890		1.7916	2.5294	2.5332	3.1030
H8	2.6474	2.0923	3.7587	2.5069	1.1033	2.1890	1.7916		2.5294	3.1030	2.5332
H9	4.5083	3.3283	5.4860	4.6673	2.1551	1.1039	2.5294	2.5294		1.7934	1.7934
H10	3.9394	2.6131	4.6574	4.4793	2.1719	1.1032	2.5332	3.1030	1.7934		1.7927
H11	3.9394	2.6131	4.6574	4.4793	2.1719	1.1032	3.1030	2.5332	1.7934	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.364	O2	N1	O3	112.635
O2	N1	O4	117.576	O2	C5	C6	105.141
O2	C5	H7	109.476	O2	C5	H8	109.476
O3	N1	O4	129.789	C5	C6	H9	109.341
C5	C6	H10	110.698	C5	C6	H11	110.698
C6	C5	H7	112.057	C6	C5	H8	112.057
H7	C5	H8	108.561	H9	C6	H10	108.690
H9	C6	H11	108.690	H10	C6	H11	108.672

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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