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	hartrees
Energy at 0K	-358.551706
Energy at 298.15K	-358.559576
HF Energy	-357.500681
Nuclear repulsion energy	249.359989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3149	3021
2	A'	3087	2961
3	A'	3069	2944
4	A'	1716	1646
5	A'	1561	1497
6	A'	1539	1477
7	A'	1464	1405
8	A'	1419	1361
9	A'	1320	1267
10	A'	1165	1117
11	A'	1066	1023
12	A'	943	905
13	A'	865	830
14	A'	702	673
15	A'	559	536
16	A'	381	365
17	A'	231	221
18	A"	3164	3035
19	A"	3138	3010
20	A"	1528	1466
21	A"	1305	1252
22	A"	1205	1156
23	A"	842	808
24	A"	742	712
25	A"	260	249
26	A"	123	118
27	A"	98	94

Atom	x (Å)	y (Å)	z (Å)
N1	1.105	-0.316	0.000
O2	0.000	0.575	0.000
O3	2.175	0.264	0.000
O4	0.866	-1.519	0.000
C5	-1.285	-0.112	0.000
C6	-2.317	1.001	0.000
H7	-1.354	-0.747	0.891
H8	-1.354	-0.747	-0.891
H9	-3.323	0.562	0.000
H10	-2.209	1.630	0.891
H11	-2.209	1.630	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4197	1.2175	1.2264	2.3979	3.6667	2.6505	2.6505	4.5143	3.9451	3.9451
O2	1.4197		2.1974	2.2664	1.4570	2.3559	2.0919	2.0919	3.3233	2.6052	2.6052
O3	1.2175	2.1974		2.2121	3.4801	4.5524	3.7777	3.7777	5.5065	4.6780	4.6780
O4	1.2264	2.2664	2.2121		2.5696	4.0598	2.5137	2.5137	4.6776	4.4907	4.4907
C5	2.3979	1.4570	3.4801	2.5696		1.5185	1.0963	1.0963	2.1474	2.1644	2.1644
C6	3.6667	2.3559	4.5524	4.0598	1.5185		2.1856	2.1856	1.0976	1.0961	1.0961
H7	2.6505	2.0919	3.7777	2.5137	1.0963	2.1856		1.7828	2.5270	2.5258	3.0915
H8	2.6505	2.0919	3.7777	2.5137	1.0963	2.1856	1.7828		2.5270	3.0915	2.5258
H9	4.5143	3.3233	5.5065	4.6776	2.1474	1.0976	2.5270	2.5270		1.7820	1.7820
H10	3.9451	2.6052	4.6780	4.4907	2.1644	1.0961	2.5258	3.0915	1.7820		1.7824
H11	3.9451	2.6052	4.6780	4.4907	2.1644	1.0961	3.0915	2.5258	1.7820	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.931	O2	N1	O3	112.641
O2	N1	O4	117.671	O2	C5	C6	104.687
O2	C5	H7	109.208	O2	C5	H8	109.208
O3	N1	O4	129.688	C5	C6	H9	109.281
C5	C6	H10	110.714	C5	C6	H11	110.714
C6	C5	H7	112.405	C6	C5	H8	112.405
H7	C5	H8	108.797	H9	C6	H10	108.645
H9	C6	H11	108.645	H10	C6	H11	108.789

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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