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	hartrees
Energy at 0K	-358.656071
Energy at 298.15K	-358.664052
HF Energy	-357.592348
Nuclear repulsion energy	251.169659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3029	13.65
2	A'	3111	2956	12.25
3	A'	3096	2942	11.49
4	A'	1871	1778	220.19
5	A'	1564	1487	4.41
6	A'	1538	1462	5.97
7	A'	1460	1388	4.80
8	A'	1428	1357	12.18
9	A'	1317	1251	253.86
10	A'	1176	1117	23.40
11	A'	1083	1029	66.70
12	A'	956	909	54.56
13	A'	881	837	277.87
14	A'	734	697	27.43
15	A'	584	555	0.17
16	A'	387	368	0.14
17	A'	234	223	0.43
18	A"	3201	3042	23.23
19	A"	3170	3012	8.87
20	A"	1525	1449	9.24
21	A"	1328	1262	0.52
22	A"	1212	1152	4.66
23	A"	844	802	0.19
24	A"	767	729	12.16
25	A"	265	252	0.51
26	A"	125	119	1.46
27	A"	103	98	0.18

Atom	x (Å)	y (Å)	z (Å)
N1	1.101	-0.319	0.000
O2	0.000	0.564	0.000
O3	2.158	0.261	0.000
O4	0.863	-1.508	0.000
C5	-1.274	-0.108	0.000
C6	-2.304	1.001	0.000
H7	-1.352	-0.740	0.888
H8	-1.352	-0.740	-0.888
H9	-3.306	0.566	0.000
H10	-2.198	1.627	0.887
H11	-2.198	1.627	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4113	1.2060	1.2124	2.3839	3.6517	2.6415	2.6415	4.4948	3.9312	3.9312
O2	1.4113		2.1792	2.2451	1.4408	2.3452	2.0777	2.0777	3.3063	2.5975	2.5975
O3	1.2060	2.1792		2.1920	3.4518	4.5232	3.7559	3.7559	5.4728	4.6505	4.6505
O4	1.2124	2.2451	2.1920		2.5550	4.0410	2.5066	2.5066	4.6571	4.4709	4.4709
C5	2.3839	1.4408	3.4518	2.5550		1.5140	1.0923	1.0923	2.1412	2.1569	2.1569
C6	3.6517	2.3452	4.5232	4.0410	1.5140		2.1744	2.1744	1.0925	1.0907	1.0907
H7	2.6415	2.0777	3.7559	2.5066	1.0923	2.1744		1.7750	2.5131	2.5145	3.0774
H8	2.6415	2.0777	3.7559	2.5066	1.0923	2.1744	1.7750		2.5131	3.0774	2.5145
H9	4.4948	3.3063	5.4728	4.6571	2.1412	1.0925	2.5131	2.5131		1.7724	1.7724
H10	3.9312	2.5975	4.6505	4.4709	2.1569	1.0907	2.5145	3.0774	1.7724		1.7734
H11	3.9312	2.5975	4.6505	4.4709	2.1569	1.0907	3.0774	2.5145	1.7724	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.406	O2	N1	O3	112.501
O2	N1	O4	117.482	O2	C5	C6	105.042
O2	C5	H7	109.447	O2	C5	H8	109.447
O3	N1	O4	130.017	C5	C6	H9	109.407
C5	C6	H10	110.758	C5	C6	H11	110.758
C6	C5	H7	112.072	C6	C5	H8	112.072
H7	C5	H8	108.677	H9	C6	H10	108.546
H9	C6	H11	108.546	H10	C6	H11	108.768

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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