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	hartrees
Energy at 0K	-357.610176
Energy at 298.15K	-357.618483
HF Energy	-357.610176
Nuclear repulsion energy	256.661299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	2956	38.44
2	A'	3239	2942	1.85
3	A'	3182	2891	16.69
4	A'	1892	1719	802.11
5	A'	1653	1501	3.30
6	A'	1618	1470	15.32
7	A'	1596	1450	162.97
8	A'	1550	1408	133.29
9	A'	1504	1366	99.43
10	A'	1243	1130	23.12
11	A'	1181	1073	286.03
12	A'	1100	999	17.76
13	A'	1002	910	6.18
14	A'	838	761	1.92
15	A'	647	588	16.51
16	A'	421	382	7.31
17	A'	251	228	0.54
18	A"	3301	2999	34.83
19	A"	3256	2958	11.69
20	A"	1600	1453	6.45
21	A"	1413	1283	1.92
22	A"	1286	1168	6.08
23	A"	919	835	28.55
24	A"	885	804	4.07
25	A"	274	249	0.59
26	A"	130	118	0.86
27	A"	106	97	1.18

Atom	x (Å)	y (Å)	z (Å)
N1	1.087	-0.255	0.000
O2	0.000	0.507	0.000
O3	2.091	0.347	0.000
O4	0.943	-1.427	0.000
C5	-1.266	-0.175	0.000
C6	-2.314	0.914	0.000
H7	-1.325	-0.799	0.880
H8	-1.325	-0.799	-0.880
H9	-3.299	0.457	0.000
H10	-2.223	1.539	0.881
H11	-2.223	1.539	-0.881

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3279	1.1699	1.1809	2.3547	3.5969	2.6249	2.6249	4.4433	3.8666	3.8666
O2	1.3279		2.0967	2.1519	1.4383	2.3498	2.0585	2.0585	3.2990	2.6040	2.6040
O3	1.1699	2.0967		2.1128	3.3969	4.4413	3.7087	3.7087	5.3902	4.5610	4.5610
O4	1.1809	2.1519	2.1128		2.5390	4.0111	2.5123	2.5123	4.6410	4.4264	4.4264
C5	2.3547	1.4383	3.3969	2.5390		1.5115	1.0802	1.0802	2.1285	2.1513	2.1513
C6	3.5969	2.3498	4.4413	4.0111	1.5115		2.1649	2.1649	1.0850	1.0836	1.0836
H7	2.6249	2.0585	3.7087	2.5123	1.0802	2.1649		1.7592	2.4992	2.5043	3.0611
H8	2.6249	2.0585	3.7087	2.5123	1.0802	2.1649	1.7592		2.4992	3.0611	2.5043
H9	4.4433	3.2990	5.3902	4.6410	2.1285	1.0850	2.4992	2.4992		1.7613	1.7613
H10	3.8666	2.6040	4.5610	4.4264	2.1513	1.0836	2.5043	3.0611	1.7613		1.7614
H11	3.8666	2.6040	4.5610	4.4264	2.1513	1.0836	3.0611	2.5043	1.7613	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.639	O2	N1	O3	114.006
O2	N1	O4	118.010	O2	C5	C6	105.589
O2	C5	H7	108.808	O2	C5	H8	108.808
O3	N1	O4	127.984	C5	C6	H9	109.013
C5	C6	H10	110.908	C5	C6	H11	110.908
C6	C5	H7	112.228	C6	C5	H8	112.228
H7	C5	H8	109.034	H9	C6	H10	108.615
H9	C6	H11	108.615	H10	C6	H11	108.723

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

using model chemistry: HF/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	0.708
2	O	-0.366
3	O	-0.354
4	O	-0.384
5	C	0.085
6	C	-0.261
7	H	0.121
8	H	0.121
9	H	0.104
10	H	0.113
11	H	0.113

	x	y	z	Total
	-4.097	0.255	0.000	4.105
CHELPG
AIM
ESP

	x	y	z
x	7.158	0.217	0.000
y	0.217	5.951	0.000
z	0.000	0.000	4.085

<r²>	173.124
(<r²>)^1/2	13.158

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

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

States and conformations

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