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	hartrees
Energy at 0K	-357.556248
Energy at 298.15K	-357.564552
HF Energy	-357.556248
Nuclear repulsion energy	256.865675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	2954	29.01
2	A'	3239	2933	5.70
3	A'	3186	2885	14.95
4	A'	1887	1709	715.72
5	A'	1651	1495	4.51
6	A'	1617	1464	13.17
7	A'	1596	1445	168.87
8	A'	1547	1401	89.51
9	A'	1501	1359	104.64
10	A'	1242	1125	26.56
11	A'	1186	1074	258.49
12	A'	1099	995	12.10
13	A'	998	903	5.25
14	A'	834	755	2.28
15	A'	648	587	16.06
16	A'	422	382	7.06
17	A'	251	227	0.48
18	A"	3303	2991	30.37
19	A"	3263	2955	7.88
20	A"	1601	1450	5.00
21	A"	1404	1272	1.61
22	A"	1287	1165	5.08
23	A"	940	851	25.77
24	A"	881	797	1.71
25	A"	273	247	0.48
26	A"	131	119	0.75
27	A"	109	98	0.74

Atom	x (Å)	y (Å)	z (Å)
N1	1.085	-0.252	0.000
O2	0.000	0.511	0.000
O3	2.089	0.352	0.000
O4	0.940	-1.423	0.000
C5	-1.258	-0.178	0.000
C6	-2.316	0.904	0.000
H7	-1.316	-0.803	0.879
H8	-1.316	-0.803	-0.879
H9	-3.296	0.439	0.000
H10	-2.230	1.530	0.881
H11	-2.230	1.530	-0.881

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3258	1.1718	1.1808	2.3441	3.5920	2.6153	2.6153	4.4355	3.8646	3.8646
O2	1.3258		2.0954	2.1506	1.4342	2.3494	2.0568	2.0568	3.2972	2.6050	2.6050
O3	1.1718	2.0954		2.1147	3.3891	4.4400	3.7015	3.7015	5.3865	4.5626	4.5626
O4	1.1808	2.1506	2.1147		2.5267	4.0029	2.4994	2.4994	4.6283	4.4211	4.4211
C5	2.3441	1.4342	3.3891	2.5267		1.5135	1.0805	1.0805	2.1299	2.1532	2.1532
C6	3.5920	2.3494	4.4400	4.0029	1.5135		2.1656	2.1656	1.0848	1.0838	1.0838
H7	2.6153	2.0568	3.7015	2.4994	1.0805	2.1656		1.7584	2.4983	2.5058	3.0622
H8	2.6153	2.0568	3.7015	2.4994	1.0805	2.1656	1.7584		2.4983	3.0622	2.5058
H9	4.4355	3.2972	5.3865	4.6283	2.1299	1.0848	2.4983	2.4983		1.7613	1.7613
H10	3.8646	2.6050	4.5626	4.4211	2.1532	1.0838	2.5058	3.0622	1.7613		1.7616
H11	3.8646	2.6050	4.5626	4.4211	2.1532	1.0838	3.0622	2.5058	1.7613	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.213	O2	N1	O3	113.916
O2	N1	O4	118.060	O2	C5	C6	105.659
O2	C5	H7	108.945	O2	C5	H8	108.945
O3	N1	O4	128.025	C5	C6	H9	108.997
C5	C6	H10	110.911	C5	C6	H11	110.911
C6	C5	H7	112.123	C6	C5	H8	112.123
H7	C5	H8	108.923	H9	C6	H10	108.621
H9	C6	H11	108.621	H10	C6	H11	108.722

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

using model chemistry: HF/6-31G(2df,p)

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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Number	Element	Mulliken
1	N	1.157
2	O	-0.493
3	O	-0.506
4	O	-0.527
5	C	-0.008
6	C	-0.429
7	H	0.164
8	H	0.164
9	H	0.154
10	H	0.162
11	H	0.162

	x	y	z	Total
	-3.946	0.286	0.000	3.956
CHELPG
AIM
ESP

	x	y	z
x	7.294	0.084	0.000
y	0.084	5.972	0.000
z	0.000	0.000	4.425

<r²>	172.411
(<r²>)^1/2	13.131

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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