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	hartrees
Energy at 0K	-358.494731
Energy at 298.15K	-358.502683
HF Energy	-357.501575
Nuclear repulsion energy	249.967513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3032	10.53
2	A'	3133	2955	9.66
3	A'	3124	2946	8.60
4	A'	1867	1760	184.71
5	A'	1581	1491	3.14
6	A'	1561	1472	5.49
7	A'	1479	1395	5.46
8	A'	1434	1352	7.17
9	A'	1316	1241	260.41
10	A'	1182	1114	20.16
11	A'	1083	1021	64.45
12	A'	958	903	67.68
13	A'	877	827	248.57
14	A'	721	680	10.21
15	A'	573	540	0.26
16	A'	386	364	0.41
17	A'	233	220	0.50
18	A"	3230	3046	16.51
19	A"	3194	3012	10.18
20	A"	1550	1461	7.06
21	A"	1323	1247	0.16
22	A"	1220	1150	4.59
23	A"	854	805	0.40
24	A"	753	710	13.08
25	A"	270	255	0.51
26	A"	131	123	1.39
27	A"	101	95	0.14

Atom	x (Å)	y (Å)	z (Å)
N1	1.099	-0.319	0.000
O2	0.000	0.570	0.000
O3	2.172	0.263	0.000
O4	0.857	-1.520	0.000
C5	-1.280	-0.109	0.000
C6	-2.306	1.005	0.000
H7	-1.355	-0.742	0.888
H8	-1.355	-0.742	-0.888
H9	-3.310	0.572	0.000
H10	-2.196	1.630	0.888
H11	-2.196	1.630	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4134	1.2203	1.2254	2.3891	3.6529	2.6443	2.6443	4.4981	3.9295	3.9295
O2	1.4134		2.1936	2.2584	1.4492	2.3462	2.0844	2.0844	3.3097	2.5947	2.5947
O3	1.2203	2.1936		2.2155	3.4726	4.5386	3.7736	3.7736	5.4905	4.6618	4.6618
O4	1.2254	2.2584	2.2155		2.5611	4.0463	2.5075	2.5075	4.6622	4.4750	4.4750
C5	2.3891	1.4492	3.4726	2.5611		1.5133	1.0929	1.0929	2.1403	2.1560	2.1560
C6	3.6529	2.3462	4.5386	4.0463	1.5133		2.1772	2.1772	1.0934	1.0915	1.0915
H7	2.6443	2.0844	3.7736	2.5075	1.0929	2.1772		1.7759	2.5167	2.5160	3.0795
H8	2.6443	2.0844	3.7736	2.5075	1.0929	2.1772	1.7759		2.5167	3.0795	2.5160
H9	4.4981	3.3097	5.4905	4.6622	2.1403	1.0934	2.5167	2.5167		1.7745	1.7745
H10	3.9295	2.5947	4.6618	4.4750	2.1560	1.0915	2.5160	3.0795	1.7745		1.7755
H11	3.9295	2.5947	4.6618	4.4750	2.1560	1.0915	3.0795	2.5160	1.7745	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.139	O2	N1	O3	112.592
O2	N1	O4	117.529	O2	C5	C6	104.717
O2	C5	H7	109.363	O2	C5	H8	109.363
O3	N1	O4	129.879	C5	C6	H9	109.331
C5	C6	H10	110.688	C5	C6	H11	110.688
C6	C5	H7	112.310	C6	C5	H8	112.310
H7	C5	H8	108.673	H9	C6	H10	108.620
H9	C6	H11	108.620	H10	C6	H11	108.841

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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