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	hartrees
Energy at 0K	-356.189076
Energy at 298.15K	-356.196829
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	3034	12.69
2	A'	3123	2980	7.06
3	A'	3105	2964	8.78
4	A'	1709	1631	13.76
5	A'	1618	1545	4.92
6	A'	1603	1530	7.54
7	A'	1499	1430	7.63
8	A'	1430	1365	4.02
9	A'	1168	1115	8.81
10	A'	1092	1043	258.15
11	A'	1015	969	66.27
12	A'	922	880	53.25
13	A'	820	783	168.68
14	A'	668	637	2.57
15	A'	509	486	0.12
16	A'	368	351	1.06
17	A'	223	212	0.45
18	A"	3198	3053	25.25
19	A"	3170	3026	8.22
20	A"	1591	1519	6.34
21	A"	1339	1278	0.16
22	A"	1215	1160	4.18
23	A"	881	840	1.07
24	A"	652	623	10.88
25	A"	262	250	0.59
26	A"	121	116	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)