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	hartrees
Energy at 0K	-359.612669
Energy at 298.15K	-359.620526
HF Energy	-359.612669
Nuclear repulsion energy	250.547587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3113	3009	18.88
2	A'	3056	2955	11.78
3	A'	3044	2943	13.14
4	A'	1733	1675	402.60
5	A'	1524	1473	3.07
6	A'	1501	1451	6.11
7	A'	1424	1377	0.07
8	A'	1401	1354	30.39
9	A'	1324	1280	251.12
10	A'	1142	1104	13.41
11	A'	1028	994	47.67
12	A'	922	892	44.45
13	A'	875	846	240.12
14	A'	706	682	40.74
15	A'	568	549	0.93
16	A'	373	360	0.26
17	A'	224	217	0.47
18	A"	3126	3022	33.16
19	A"	3099	2996	3.76
20	A"	1484	1435	7.95
21	A"	1293	1250	0.74
22	A"	1179	1140	4.57
23	A"	826	799	0.13
24	A"	770	744	16.35
25	A"	255	246	0.55
26	A"	131	126	1.17
27	A"	76	74	0.44

Atom	x (Å)	y (Å)	z (Å)
N1	1.113	-0.320	0.000
O2	0.000	0.561	0.000
O3	2.162	0.259	0.000
O4	0.883	-1.506	0.000
C5	-1.288	-0.106	0.000
C6	-2.322	1.003	0.000
H7	-1.363	-0.739	0.887
H8	-1.363	-0.739	-0.887
H9	-3.323	0.564	0.000
H10	-2.221	1.631	0.887
H11	-2.221	1.631	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4197	1.1983	1.2082	2.4108	3.6810	2.6636	2.6636	4.5228	3.9637	3.9637
O2	1.4197		2.1831	2.2481	1.4510	2.3636	2.0822	2.0822	3.3225	2.6200	2.6200
O3	1.1983	2.1831		2.1798	3.4696	4.5454	3.7698	3.7698	5.4931	4.6777	4.6777
O4	1.2082	2.2481	2.1798		2.5834	4.0704	2.5341	2.5341	4.6874	4.5018	4.5018
C5	2.4108	1.4510	3.4696	2.5834		1.5164	1.0918	1.0918	2.1418	2.1625	2.1625
C6	3.6810	2.3636	4.5454	4.0704	1.5164		2.1771	2.1771	1.0928	1.0914	1.0914
H7	2.6636	2.0822	3.7698	2.5341	1.0918	2.1771		1.7736	2.5142	2.5207	3.0820
H8	2.6636	2.0822	3.7698	2.5341	1.0918	2.1771	1.7736		2.5142	3.0820	2.5207
H9	4.5228	3.3225	5.4931	4.6874	2.1418	1.0928	2.5142	2.5142		1.7719	1.7719
H10	3.9637	2.6200	4.6777	4.5018	2.1625	1.0914	2.5207	3.0820	1.7719		1.7731
H11	3.9637	2.6200	4.6777	4.5018	2.1625	1.0914	3.0820	2.5207	1.7719	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	114.231	O2	N1	O3	112.726
O2	N1	O4	117.400	O2	C5	C6	105.579
O2	C5	H7	109.126	O2	C5	H8	109.126
O3	N1	O4	129.874	C5	C6	H9	109.267
C5	C6	H10	110.992	C5	C6	H11	110.992
C6	C5	H7	112.143	C6	C5	H8	112.143
H7	C5	H8	108.628	H9	C6	H10	108.435
H9	C6	H11	108.435	H10	C6	H11	108.648

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	N	0.452
2	O	-0.283
3	O	-0.235
4	O	-0.249
5	C	-0.014
6	C	-0.312
7	H	0.134
8	H	0.134
9	H	0.119
10	H	0.127
11	H	0.127

	x	y	z	Total
	-3.345	0.194	0.000	3.350
CHELPG
AIM
ESP

	x	y	z
x	8.475	-0.199	0.000
y	-0.199	6.434	0.000
z	0.000	0.000	4.355

<r²>	179.369
(<r²>)^1/2	13.393

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

using model chemistry: B3LYP/6-311G**

States and conformations

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