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	hartrees
Energy at 0K	-358.024390
Energy at 298.15K	-358.032142
HF Energy	-357.307161
Nuclear repulsion energy	244.888970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	2990	17.83
2	A'	3073	2948	5.18
3	A'	3039	2916	12.68
4	A'	1646	1580	323.41
5	A'	1571	1508	5.08
6	A'	1552	1490	8.30
7	A'	1482	1422	8.43
8	A'	1431	1373	2.43
9	A'	1250	1199	206.27
10	A'	1161	1114	10.08
11	A'	1043	1000	49.22
12	A'	927	889	84.46
13	A'	842	808	152.50
14	A'	692	664	12.07
15	A'	541	519	4.00
16	A'	368	353	1.76
17	A'	220	211	0.69
18	A"	3140	3013	34.14
19	A"	3119	2993	0.16
20	A"	1541	1478	7.01
21	A"	1311	1258	0.00
22	A"	1205	1156	6.05
23	A"	858	823	0.42
24	A"	707	678	15.93
25	A"	242	232	0.80
26	A"	107	103	2.89
27	A"	91	87	0.38

Atom	x (Å)	y (Å)	z (Å)
N1	1.122	-0.331	0.000
O2	0.000	0.580	0.000
O3	2.221	0.242	0.000
O4	0.879	-1.559	0.000
C5	-1.333	-0.102	0.000
C6	-2.342	1.050	0.000
H7	-1.406	-0.734	0.895
H8	-1.406	-0.734	-0.895
H9	-3.364	0.638	0.000
H10	-2.215	1.678	0.894
H11	-2.215	1.678	-0.894

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4448	1.2392	1.2522	2.4652	3.7286	2.7120	2.7120	4.5893	3.9955	3.9955
O2	1.4448		2.2462	2.3123	1.4968	2.3884	2.1224	2.1224	3.3645	2.6284	2.6284
O3	1.2392	2.2462		2.2462	3.5700	4.6333	3.8611	3.8611	5.5987	4.7466	4.7466
O4	1.2522	2.3123	2.2462		2.6485	4.1447	2.5891	2.5891	4.7781	4.5656	4.5656
C5	2.4652	1.4968	3.5700	2.6485		1.5312	1.0985	1.0985	2.1620	2.1780	2.1780
C6	3.7286	2.3884	4.6333	4.1447	1.5312		2.2043	2.2043	1.1021	1.0998	1.0998
H7	2.7120	2.1224	3.8611	2.5891	1.0985	2.2043		1.7910	2.5531	2.5435	3.1099
H8	2.7120	2.1224	3.8611	2.5891	1.0985	2.2043	1.7910		2.5531	3.1099	2.5435
H9	4.5893	3.3645	5.5987	4.7781	2.1620	1.1021	2.5531	2.5531		1.7892	1.7892
H10	3.9955	2.6284	4.7466	4.5656	2.1780	1.0998	2.5435	3.1099	1.7892		1.7879
H11	3.9955	2.6284	4.7466	4.5656	2.1780	1.0998	3.1099	2.5435	1.7892	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.855	O2	N1	O3	113.403
O2	N1	O4	117.867	O2	C5	C6	104.136
O2	C5	H7	108.751	O2	C5	H8	108.751
O3	N1	O4	128.731	C5	C6	H9	109.291
C5	C6	H10	110.682	C5	C6	H11	110.682
C6	C5	H7	112.876	C6	C5	H8	112.876
H7	C5	H8	109.208	H9	C6	H10	108.695
H9	C6	H11	108.695	H10	C6	H11	108.747

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)