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	hartrees
Energy at 0K	-358.591505
Energy at 298.15K	-358.599405
HF Energy	-357.509804
Nuclear repulsion energy	249.778798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3198	3033
2	A'	3127	2966
3	A'	3111	2950
4	A'	1729	1640
5	A'	1569	1489
6	A'	1548	1468
7	A'	1469	1393
8	A'	1426	1352
9	A'	1326	1257
10	A'	1167	1107
11	A'	1069	1014
12	A'	947	898
13	A'	872	827
14	A'	705	669
15	A'	562	533
16	A'	382	363
17	A'	231	219
18	A"	3211	3046
19	A"	3183	3019
20	A"	1536	1457
21	A"	1310	1242
22	A"	1208	1146
23	A"	842	798
24	A"	745	707
25	A"	261	248
26	A"	122	116
27	A"	97	92

Atom	x (Å)	y (Å)	z (Å)
N1	1.103	-0.314	0.000
O2	0.000	0.575	0.000
O3	2.173	0.266	0.000
O4	0.865	-1.516	0.000
C5	-1.281	-0.113	0.000
C6	-2.317	0.995	0.000
H7	-1.350	-0.745	0.887
H8	-1.350	-0.745	-0.887
H9	-3.315	0.554	0.000
H10	-2.211	1.620	0.886
H11	-2.211	1.620	-0.886

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4173	1.2165	1.2252	2.3932	3.6623	2.6441	2.6441	4.5028	3.9387	3.9387
O2	1.4173		2.1948	2.2632	1.4548	2.3546	2.0861	2.0861	3.3150	2.6012	2.6012
O3	1.2165	2.1948		2.2102	3.4749	4.5486	3.7707	3.7707	5.4953	4.6732	4.6732
O4	1.2252	2.2632	2.2102		2.5641	4.0533	2.5076	2.5076	4.6643	4.4814	4.4814
C5	2.3932	1.4548	3.4749	2.5641		1.5168	1.0906	1.0906	2.1402	2.1575	2.1575
C6	3.6623	2.3546	4.5486	4.0533	1.5168		2.1787	2.1787	1.0912	1.0899	1.0899
H7	2.6441	2.0861	3.7707	2.5076	1.0906	2.1787		1.7732	2.5164	2.5166	3.0784
H8	2.6441	2.0861	3.7707	2.5076	1.0906	2.1787	1.7732		2.5164	3.0784	2.5166
H9	4.5028	3.3150	5.4953	4.6643	2.1402	1.0912	2.5164	2.5164		1.7724	1.7724
H10	3.9387	2.6012	4.6732	4.4814	2.1575	1.0899	2.5166	3.0784	1.7724		1.7729
H11	3.9387	2.6012	4.6732	4.4814	2.1575	1.0899	3.0784	2.5166	1.7724	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.864	O2	N1	O3	112.652
O2	N1	O4	117.659	O2	C5	C6	104.801
O2	C5	H7	109.249	O2	C5	H8	109.249
O3	N1	O4	129.689	C5	C6	H9	109.211
C5	C6	H10	110.660	C5	C6	H11	110.660
C6	C5	H7	112.327	C6	C5	H8	112.327
H7	C5	H8	108.769	H9	C6	H10	108.708
H9	C6	H11	108.708	H10	C6	H11	108.847

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

using model chemistry: CCSD(T)/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(T)/6-31G**

States and conformations

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