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	hartrees
Energy at 0K	-359.175000
Energy at 298.15K	-359.182936
HF Energy	-359.175000
Nuclear repulsion energy	252.094906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3022	11.68
2	A'	3093	2953	10.53
3	A'	3079	2939	11.43
4	A'	1784	1704	457.25
5	A'	1521	1452	2.85
6	A'	1500	1433	7.30
7	A'	1437	1372	22.32
8	A'	1410	1346	115.79
9	A'	1355	1294	167.77
10	A'	1153	1101	13.78
11	A'	1063	1015	74.58
12	A'	954	910	154.26
13	A'	906	865	121.49
14	A'	734	701	9.59
15	A'	585	558	2.17
16	A'	385	368	1.49
17	A'	228	218	0.47
18	A"	3176	3032	20.41
19	A"	3147	3005	3.72
20	A"	1487	1420	9.69
21	A"	1292	1234	0.86
22	A"	1179	1126	4.60
23	A"	824	787	0.01
24	A"	790	754	13.66
25	A"	257	245	0.40
26	A"	132	126	1.04
27	A"	87	83	0.51

Atom	x (Å)	y (Å)	z (Å)
N1	1.099	-0.294	0.000
O2	0.000	0.552	0.000
O3	2.147	0.292	0.000
O4	0.889	-1.485	0.000
C5	-1.274	-0.128	0.000
C6	-2.317	0.964	0.000
H7	-1.338	-0.763	0.888
H8	-1.338	-0.763	-0.888
H9	-3.311	0.508	0.000
H10	-2.228	1.595	0.888
H11	-2.228	1.595	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3870	1.2010	1.2092	2.3788	3.6403	2.6356	2.6356	4.4828	3.9274	3.9274
O2	1.3870		2.1630	2.2222	1.4439	2.3532	2.0752	2.0752	3.3114	2.6151	2.6151
O3	1.2010	2.1630		2.1775	3.4469	4.5144	3.7479	3.7479	5.4628	4.6503	4.6503
O4	1.2092	2.2222	2.1775		2.5531	4.0340	2.5034	2.5034	4.6490	4.4705	4.4705
C5	2.3788	1.4439	3.4469	2.5531		1.5100	1.0937	1.0937	2.1344	2.1602	2.1602
C6	3.6403	2.3532	4.5144	4.0340	1.5100		2.1749	2.1749	1.0938	1.0929	1.0929
H7	2.6356	2.0752	3.7479	2.5034	1.0937	2.1749		1.7765	2.5100	2.5202	3.0832
H8	2.6356	2.0752	3.7479	2.5034	1.0937	2.1749	1.7765		2.5100	3.0832	2.5202
H9	4.4828	3.3114	5.4628	4.6490	2.1344	1.0938	2.5100	2.5100		1.7729	1.7729
H10	3.9274	2.6151	4.6503	4.4705	2.1602	1.0929	2.5202	3.0832	1.7729		1.7760
H11	3.9274	2.6151	4.6503	4.4705	2.1602	1.0929	3.0832	2.5202	1.7729	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	114.333	O2	N1	O3	113.196
O2	N1	O4	117.565	O2	C5	C6	105.599
O2	C5	H7	108.949	O2	C5	H8	108.949
O3	N1	O4	129.239	C5	C6	H9	109.063
C5	C6	H10	111.164	C5	C6	H11	111.164
C6	C5	H7	112.308	C6	C5	H8	112.308
H7	C5	H8	108.610	H9	C6	H10	108.341
H9	C6	H11	108.341	H10	C6	H11	108.683

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.011
2	O	-0.042
3	O	-0.106
4	O	-0.131
5	C	-0.051
6	C	-0.589
7	H	0.185
8	H	0.185
9	H	0.181
10	H	0.190
11	H	0.190

	x	y	z	Total
	-3.772	0.247	0.000	3.780
CHELPG
AIM
ESP

	x	y	z
x	8.868	-0.179	0.000
y	-0.179	7.019	0.000
z	0.000	0.000	4.933

<r²>	177.182
(<r²>)^1/2	13.311

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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