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	hartrees
Energy at 0K	-358.768492
Energy at 298.15K	-358.776486
HF Energy	-357.592840
Nuclear repulsion energy	251.404218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3022	13.31
2	A'	3114	2949	12.14
3	A'	3099	2935	11.29
4	A'	1875	1775	222.66
5	A'	1565	1483	4.53
6	A'	1539	1457	6.03
7	A'	1462	1385	4.68
8	A'	1430	1354	13.32
9	A'	1320	1251	253.09
10	A'	1178	1115	23.57
11	A'	1087	1029	67.14
12	A'	959	908	55.05
13	A'	883	836	276.65
14	A'	736	697	27.13
15	A'	585	554	0.17
16	A'	388	368	0.15
17	A'	235	222	0.43
18	A"	3204	3035	22.64
19	A"	3173	3005	8.88
20	A"	1525	1445	9.40
21	A"	1331	1260	0.53
22	A"	1214	1149	4.69
23	A"	845	801	0.19
24	A"	771	730	12.30
25	A"	266	252	0.51
26	A"	126	119	1.46
27	A"	104	99	0.17

Atom	x (Å)	y (Å)	z (Å)
N1	1.099	-0.318	0.000
O2	0.000	0.564	0.000
O3	2.156	0.261	0.000
O4	0.863	-1.506	0.000
C5	-1.273	-0.108	0.000
C6	-2.302	0.999	0.000
H7	-1.350	-0.741	0.887
H8	-1.350	-0.741	-0.887
H9	-3.304	0.564	0.000
H10	-2.197	1.625	0.886
H11	-2.197	1.625	-0.886

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4095	1.2050	1.2114	2.3814	3.6480	2.6392	2.6392	4.4909	3.9279	3.9279
O2	1.4095		2.1771	2.2427	1.4391	2.3432	2.0761	2.0761	3.3040	2.5958	2.5958
O3	1.2050	2.1771		2.1901	3.4485	4.5190	3.7527	3.7527	5.4683	4.6468	4.6468
O4	1.2114	2.2427	2.1901		2.5524	4.0368	2.5040	2.5040	4.6527	4.4669	4.4669
C5	2.3814	1.4391	3.4485	2.5524		1.5122	1.0919	1.0919	2.1397	2.1552	2.1552
C6	3.6480	2.3432	4.5190	4.0368	1.5122		2.1725	2.1725	1.0920	1.0903	1.0903
H7	2.6392	2.0761	3.7527	2.5040	1.0919	2.1725		1.7739	2.5111	2.5128	3.0754
H8	2.6392	2.0761	3.7527	2.5040	1.0919	2.1725	1.7739		2.5111	3.0754	2.5128
H9	4.4909	3.3040	5.4683	4.6527	2.1397	1.0920	2.5111	2.5111		1.7715	1.7715
H10	3.9279	2.5958	4.6468	4.4669	2.1552	1.0903	2.5128	3.0754	1.7715		1.7725
H11	3.9279	2.5958	4.6468	4.4669	2.1552	1.0903	3.0754	2.5128	1.7715	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.427	O2	N1	O3	112.521
O2	N1	O4	117.470	O2	C5	C6	105.084
O2	C5	H7	109.455	O2	C5	H8	109.455
O3	N1	O4	130.009	C5	C6	H9	109.435
C5	C6	H10	110.772	C5	C6	H11	110.772
C6	C5	H7	112.066	C6	C5	H8	112.066
H7	C5	H8	108.635	H9	C6	H10	108.529
H9	C6	H11	108.529	H10	C6	H11	108.744

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

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

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