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	hartrees
Energy at 0K	-353.198189
Energy at 298.15K	-353.205430
HF Energy	-352.824326
Nuclear repulsion energy	239.351474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3564	3168	0.52
2	A'	3383	3008	0.77
3	A'	3359	2986	3.82
4	A'	2065	1835	60.21
5	A'	1731	1539	2.03
6	A'	1705	1516	5.76
7	A'	1610	1431	0.09
8	A'	1513	1345	20.52
9	A'	1295	1152	156.80
10	A'	1272	1131	17.51
11	A'	1174	1044	4.33
12	A'	1035	920	9.43
13	A'	921	819	71.00
14	A'	623	554	7.88
15	A'	486	432	1.07
16	A'	365	324	0.87
17	A'	218	194	0.19
18	A"	3568	3171	1.01
19	A"	3469	3084	6.50
20	A"	1717	1526	1.56
21	A"	1395	1240	0.04
22	A"	1256	1117	6.38
23	A"	895	795	0.23
24	A"	549	488	2.86
25	A"	216	192	0.26
26	A"	95	84	0.76
27	A"	86	76	0.03

Atom	x (Å)	y (Å)	z (Å)
N1	1.122	-0.337	0.000
O2	0.000	0.676	0.000
O3	2.300	0.245	0.000
O4	0.816	-1.608	0.000
C5	-1.271	-0.074	0.000
C6	-2.403	0.998	0.000
H7	-1.351	-0.727	0.899
H8	-1.351	-0.727	-0.899
H9	-3.386	0.499	0.000
H10	-2.329	1.636	0.896
H11	-2.329	1.636	-0.896

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5114	1.3136	1.3080	2.4073	3.7690	2.6602	2.6602	4.5851	4.0753	4.0753
O2	1.5114		2.3401	2.4253	1.4756	2.4240	2.1448	2.1448	3.3907	2.6741	2.6741
O3	1.3136	2.3401		2.3742	3.5851	4.7626	3.8835	3.8835	5.6919	4.9163	4.9163
O4	1.3080	2.4253	2.3742		2.5897	4.1414	2.5059	2.5059	4.7007	4.6067	4.6067
C5	2.4073	1.4756	3.5851	2.5897		1.5592	1.1137	1.1137	2.1916	2.2023	2.2023
C6	3.7690	2.4240	4.7626	4.1414	1.5592		2.2113	2.2113	1.1031	1.1029	1.1029
H7	2.6602	2.1448	3.8835	2.5059	1.1137	2.2113		1.7979	2.5403	2.5578	3.1250
H8	2.6602	2.1448	3.8835	2.5059	1.1137	2.2113	1.7979		2.5403	3.1250	2.5578
H9	4.5851	3.3907	5.6919	4.7007	2.1916	1.1031	2.5403	2.5403		1.7931	1.7931
H10	4.0753	2.6741	4.9163	4.6067	2.2023	1.1029	2.5578	3.1250	1.7931		1.7927
H11	4.0753	2.6741	4.9163	4.6067	2.2023	1.1029	3.1250	2.5578	1.7931	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	107.396	O2	N1	O3	111.675
O2	N1	O4	118.506	O2	C5	C6	105.989
O2	C5	H7	111.085	O2	C5	H8	111.085
O3	N1	O4	129.819	C5	C6	H9	109.624
C5	C6	H10	110.473	C5	C6	H11	110.473
C6	C5	H7	110.539	C6	C5	H8	110.539
H7	C5	H8	107.639	H9	C6	H10	108.746
H9	C6	H11	108.746	H10	C6	H11	108.735

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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