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	hartrees
Energy at 0K	-358.830433
Energy at 298.15K	-358.838336
HF Energy	-357.629594
Nuclear repulsion energy	250.866012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3043	12.45
2	A'	3114	2967	11.84
3	A'	3102	2955	11.02
4	A'	1829	1742	245.03
5	A'	1552	1479	4.55
6	A'	1527	1455	5.03
7	A'	1454	1386	3.90
8	A'	1422	1355	3.27
9	A'	1287	1226	249.32
10	A'	1170	1114	20.30
11	A'	1074	1023	68.22
12	A'	951	906	50.09
13	A'	867	826	296.96
14	A'	724	690	39.00
15	A'	579	551	0.68
16	A'	380	362	0.24
17	A'	230	219	0.55
18	A"	3209	3057	20.18
19	A"	3175	3025	8.08
20	A"	1505	1433	6.59
21	A"	1314	1252	0.66
22	A"	1208	1151	3.71
23	A"	849	808	0.07
24	A"	730	695	8.16
25	A"	257	244	0.51
26	A"	115	110	1.23
27	A"	91	86	0.53

Atom	x (Å)	y (Å)	z (Å)
N1	1.102	-0.325	0.000
O2	0.000	0.570	0.000
O3	2.165	0.248	0.000
O4	0.857	-1.514	0.000
C5	-1.276	-0.098	0.000
C6	-2.303	1.009	0.000
H7	-1.358	-0.726	0.886
H8	-1.358	-0.726	-0.886
H9	-3.299	0.567	0.000
H10	-2.200	1.631	0.886
H11	-2.200	1.631	-0.886

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4197	1.2078	1.2136	2.3894	3.6575	2.6452	2.6452	4.4908	3.9391	3.9391
O2	1.4197		2.1889	2.2529	1.4405	2.3449	2.0753	2.0753	3.2991	2.5984	2.5984
O3	1.2078	2.1889		2.1945	3.4590	4.5328	3.7610	3.7610	5.4736	4.6639	4.6639
O4	1.2136	2.2529	2.1945		2.5605	4.0437	2.5123	2.5123	4.6480	4.4746	4.4746
C5	2.3894	1.4405	3.4590	2.5605		1.5098	1.0889	1.0889	2.1292	2.1512	2.1512
C6	3.6575	2.3449	4.5328	4.0437	1.5098		2.1651	2.1651	1.0892	1.0874	1.0874
H7	2.6452	2.0753	3.7610	2.5123	1.0889	2.1651		1.7721	2.4951	2.5030	3.0665
H8	2.6452	2.0753	3.7610	2.5123	1.0889	2.1651	1.7721		2.4951	3.0665	2.5030
H9	4.4908	3.2991	5.4736	4.6480	2.1292	1.0892	2.4951	2.4951		1.7676	1.7676
H10	3.9391	2.5984	4.6639	4.4746	2.1512	1.0874	2.5030	3.0665	1.7676		1.7710
H11	3.9391	2.5984	4.6639	4.4746	2.1512	1.0874	3.0665	2.5030	1.7676	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.312	O2	N1	O3	112.582
O2	N1	O4	117.422	O2	C5	C6	105.246
O2	C5	H7	109.474	O2	C5	H8	109.474
O3	N1	O4	129.996	C5	C6	H9	108.946
C5	C6	H10	110.799	C5	C6	H11	110.799
C6	C5	H7	111.824	C6	C5	H8	111.824
H7	C5	H8	108.917	H9	C6	H10	108.599
H9	C6	H11	108.599	H10	C6	H11	109.043

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

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

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