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	hartrees
Energy at 0K	-358.534606
Energy at 298.15K	-358.542568
HF Energy	-357.509778
Nuclear repulsion energy	250.161836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3038	11.72
2	A'	3153	2952	11.41
3	A'	3146	2946	9.70
4	A'	1868	1750	185.39
5	A'	1578	1478	2.39
6	A'	1558	1459	4.57
7	A'	1475	1381	3.46
8	A'	1432	1341	5.66
9	A'	1315	1231	262.64
10	A'	1179	1105	18.97
11	A'	1085	1016	64.83
12	A'	957	897	66.63
13	A'	875	819	252.20
14	A'	720	675	10.36
15	A'	572	536	0.18
16	A'	386	361	0.29
17	A'	233	218	0.51
18	A"	3258	3051	17.80
19	A"	3217	3013	12.24
20	A"	1545	1447	5.58
21	A"	1321	1237	0.29
22	A"	1216	1139	4.55
23	A"	850	796	0.16
24	A"	752	704	12.84
25	A"	270	253	0.53
26	A"	131	122	1.30
27	A"	99	92	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	1.099	-0.319	0.000
O2	0.000	0.572	0.000
O3	2.172	0.261	0.000
O4	0.854	-1.519	0.000
C5	-1.278	-0.106	0.000
C6	-2.305	1.003	0.000
H7	-1.353	-0.738	0.885
H8	-1.353	-0.738	-0.885
H9	-3.303	0.568	0.000
H10	-2.197	1.626	0.884
H11	-2.197	1.626	-0.884

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4149	1.2198	1.2251	2.3865	3.6519	2.6399	2.6399	4.4911	3.9277	3.9277
O2	1.4149		2.1940	2.2588	1.4467	2.3450	2.0801	2.0801	3.3035	2.5919	2.5919
O3	1.2198	2.1940		2.2155	3.4694	4.5379	3.7687	3.7687	5.4839	4.6612	4.6612
O4	1.2251	2.2588	2.2155		2.5576	4.0423	2.5025	2.5025	4.6521	4.4699	4.4699
C5	2.3865	1.4467	3.4694	2.5576		1.5117	1.0893	1.0893	2.1349	2.1509	2.1509
C6	3.6519	2.3450	4.5379	4.0423	1.5117		2.1722	2.1722	1.0888	1.0872	1.0872
H7	2.6399	2.0801	3.7687	2.5025	1.0893	2.1722		1.7691	2.5086	2.5096	3.0703
H8	2.6399	2.0801	3.7687	2.5025	1.0893	2.1722	1.7691		2.5086	3.0703	2.5096
H9	4.4911	3.3035	5.4839	4.6521	2.1349	1.0888	2.5086	2.5086		1.7680	1.7680
H10	3.9277	2.5919	4.6612	4.4699	2.1509	1.0872	2.5096	3.0703	1.7680		1.7687
H11	3.9277	2.5919	4.6612	4.4699	2.1509	1.0872	3.0703	2.5096	1.7680	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.020	O2	N1	O3	112.550
O2	N1	O4	117.480	O2	C5	C6	104.851
O2	C5	H7	109.408	O2	C5	H8	109.408
O3	N1	O4	129.970	C5	C6	H9	109.282
C5	C6	H10	110.648	C5	C6	H11	110.648
C6	C5	H7	112.244	C6	C5	H8	112.244
H7	C5	H8	108.594	H9	C6	H10	108.676
H9	C6	H11	108.676	H10	C6	H11	108.862

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)