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	hartrees
Energy at 0K	-356.189076
Energy at 298.15K	-356.196815
HF Energy	-355.462192
Nuclear repulsion energy	242.069894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3024	12.69
2	A'	3123	2970	7.06
3	A'	3105	2954	8.78
4	A'	1709	1626	13.76
5	A'	1618	1540	4.92
6	A'	1603	1525	7.54
7	A'	1499	1426	7.63
8	A'	1430	1361	4.02
9	A'	1168	1112	8.81
10	A'	1092	1039	258.15
11	A'	1015	966	66.27
12	A'	922	877	53.25
13	A'	820	780	168.68
14	A'	668	635	2.57
15	A'	509	484	0.12
16	A'	368	350	1.06
17	A'	223	212	0.45
18	A"	3198	3042	25.25
19	A"	3170	3016	8.22
20	A"	1591	1513	6.34
21	A"	1339	1273	0.16
22	A"	1215	1156	4.18
23	A"	881	838	1.07
24	A"	652	621	10.88
25	A"	262	250	0.59
26	A"	121	115	1.91
27	A"	95	91	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	1.125	-0.350	0.000
O2	0.000	0.643	0.000
O3	2.278	0.201	0.000
O4	0.796	-1.587	0.000
C5	-1.307	-0.080	0.000
C6	-2.345	1.051	0.000
H7	-1.384	-0.709	0.889
H8	-1.384	-0.709	-0.889
H9	-3.353	0.624	0.000
H10	-2.220	1.674	0.889
H11	-2.220	1.674	-0.889

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5007	1.2780	1.2800	2.4473	3.7421	2.6865	2.6865	4.5827	4.0090	4.0090
O2	1.5007		2.3210	2.3680	1.4938	2.3801	2.1298	2.1298	3.3530	2.6036	2.6036
O3	1.2780	2.3210		2.3222	3.5966	4.7009	3.8774	3.8774	5.6473	4.8159	4.8159
O4	1.2800	2.3680	2.3222		2.5876	4.1018	2.5130	2.5130	4.7014	4.5294	4.5294
C5	2.4473	1.4938	3.5966	2.5876		1.5348	1.0921	1.0921	2.1634	2.1672	2.1672
C6	3.7421	2.3801	4.7009	4.1018	1.5348		2.1937	2.1937	1.0948	1.0924	1.0924
H7	2.6865	2.1298	3.8774	2.5130	1.0921	2.1937		1.7781	2.5384	2.5250	3.0882
H8	2.6865	2.1298	3.8774	2.5130	1.0921	2.1937	1.7781		2.5384	3.0882	2.5250
H9	4.5827	3.3530	5.6473	4.7014	2.1634	1.0948	2.5384	2.5384		1.7821	1.7821
H10	4.0090	2.6036	4.8159	4.5294	2.1672	1.0924	2.5250	3.0882	1.7821		1.7781
H11	4.0090	2.6036	4.8159	4.5294	2.1672	1.0924	3.0882	2.5250	1.7821	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	109.620	O2	N1	O3	113.049
O2	N1	O4	116.542	O2	C5	C6	103.592
O2	C5	H7	109.926	O2	C5	H8	109.926
O3	N1	O4	130.409	C5	C6	H9	109.582
C5	C6	H10	110.017	C5	C6	H11	110.017
C6	C5	H7	112.146	C6	C5	H8	112.146
H7	C5	H8	108.993	H9	C6	H10	109.130
H9	C6	H11	109.130	H10	C6	H11	108.942

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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