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	hartrees
Energy at 0K	-359.011534
Energy at 298.15K	-359.019582
HF Energy	-357.648543
Nuclear repulsion energy	252.714328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3028	9.81
2	A'	3125	2967	9.95
3	A'	3111	2954	9.14
4	A'	1847	1754	254.59
5	A'	1550	1472	4.02
6	A'	1527	1450	5.06
7	A'	1442	1369	0.99
8	A'	1411	1339	13.09
9	A'	1311	1245	245.33
10	A'	1169	1110	19.90
11	A'	1089	1034	71.62
12	A'	956	907	63.13
13	A'	880	835	264.01
14	A'	735	698	20.64
15	A'	587	557	0.24
16	A'	387	368	0.15
17	A'	234	222	0.55
18	A"	3199	3037	16.69
19	A"	3166	3005	5.85
20	A"	1515	1438	7.14
21	A"	1316	1250	0.84
22	A"	1203	1142	3.64
23	A"	841	799	0.13
24	A"	795	755	10.91
25	A"	279	265	0.49
26	A"	134	127	1.12
27	A"	106	100	0.17

Atom	x (Å)	y (Å)	z (Å)
N1	1.095	-0.307	0.000
O2	0.000	0.568	0.000
O3	2.149	0.269	0.000
O4	0.857	-1.491	0.000
C5	-1.260	-0.115	0.000
C6	-2.298	0.973	0.000
H7	-1.333	-0.742	0.881
H8	-1.333	-0.742	-0.881
H9	-3.286	0.526	0.000
H10	-2.201	1.597	0.881
H11	-2.201	1.597	-0.881

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4015	1.2013	1.2075	2.3630	3.6265	2.6186	2.6186	4.4595	3.9063	3.9063
O2	1.4015		2.1694	2.2300	1.4333	2.3337	2.0660	2.0660	3.2866	2.5839	2.5839
O3	1.2013	2.1694		2.1834	3.4307	4.5024	3.7308	3.7308	5.4411	4.6319	4.6319
O4	1.2075	2.2300	2.1834		2.5253	4.0033	2.4760	2.4760	4.6078	4.4335	4.4335
C5	2.3630	1.4333	3.4307	2.5253		1.5034	1.0841	1.0841	2.1246	2.1418	2.1418
C6	3.6265	2.3337	4.5024	4.0033	1.5034		2.1566	2.1566	1.0847	1.0835	1.0835
H7	2.6186	2.0660	3.7308	2.4760	1.0841	2.1566		1.7620	2.4901	2.4946	3.0540
H8	2.6186	2.0660	3.7308	2.4760	1.0841	2.1566	1.7620		2.4901	3.0540	2.4946
H9	4.4595	3.2866	5.4411	4.6078	2.1246	1.0847	2.4901	2.4901		1.7611	1.7611
H10	3.9063	2.5839	4.6319	4.4335	2.1418	1.0835	2.4946	3.0540	1.7611		1.7616
H11	3.9063	2.5839	4.6319	4.4335	2.1418	1.0835	3.0540	2.4946	1.7611	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.929	O2	N1	O3	112.692
O2	N1	O4	117.274	O2	C5	C6	105.224
O2	C5	H7	109.524	O2	C5	H8	109.524
O3	N1	O4	130.033	C5	C6	H9	109.288
C5	C6	H10	110.733	C5	C6	H11	110.733
C6	C5	H7	111.894	C6	C5	H8	111.894
H7	C5	H8	108.711	H9	C6	H10	108.632
H9	C6	H11	108.632	H10	C6	H11	108.771

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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