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	hartrees
Energy at 0K	-70.299285
Energy at 298.15K	-70.307265
HF Energy	-70.299285
Nuclear repulsion energy	138.993098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	2997	63.91
2	A'	3312	2986	0.41
3	A'	3235	2916	30.39
4	A'	1656	1493	10.08
5	A'	1637	1476	3.52
6	A'	1595	1438	524.65
7	A'	1573	1418	98.68
8	A'	1529	1378	75.45
9	A'	1381	1245	260.26
10	A'	1230	1109	7.65
11	A'	1111	1001	141.07
12	A'	1062	957	67.55
13	A'	927	836	0.53
14	A'	732	660	5.05
15	A'	567	511	29.20
16	A'	394	355	13.54
17	A'	228	205	0.86
18	A"	3397	3062	52.28
19	A"	3336	3007	27.82
20	A"	1620	1460	8.92
21	A"	1394	1257	0.48
22	A"	1284	1158	9.65
23	A"	900	811	0.41
24	A"	772	696	20.11
25	A"	246	222	1.03
26	A"	117	106	2.30
27	A"	94	85	2.25

Atom	x (Å)	y (Å)	z (Å)
N1	1.101	-0.292	0.000
O2	0.000	0.529	0.000
O3	2.186	0.292	0.000
O4	0.918	-1.532	0.000
C5	-1.336	-0.136	0.000
C6	-2.330	1.024	0.000
H7	-1.399	-0.755	0.886
H8	-1.399	-0.755	-0.886
H9	-3.343	0.622	0.000
H10	-2.202	1.644	0.884
H11	-2.202	1.644	-0.884

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3730	1.2324	1.2532	2.4419	3.6750	2.6921	2.6921	4.5366	3.9287	3.9287
O2	1.3730		2.1991	2.2556	1.4924	2.3825	2.0948	2.0948	3.3441	2.6214	2.6214
O3	1.2324	2.1991		2.2212	3.5483	4.5757	3.8383	3.8383	5.5389	4.6757	4.6757
O4	1.2532	2.2556	2.2212		2.6511	4.1335	2.5994	2.5994	4.7741	4.5385	4.5385
C5	2.4419	1.4924	3.5483	2.6511		1.5283	1.0823	1.0823	2.1451	2.1678	2.1678
C6	3.6750	2.3825	4.5757	4.1335	1.5283		2.1948	2.1948	1.0894	1.0869	1.0869
H7	2.6921	2.0948	3.8383	2.5994	1.0823	2.1948		1.7722	2.5414	2.5294	3.0869
H8	2.6921	2.0948	3.8383	2.5994	1.0823	2.1948	1.7722		2.5414	3.0869	2.5294
H9	4.5366	3.3441	5.5389	4.7741	2.1451	1.0894	2.5414	2.5414		1.7686	1.7686
H10	3.9287	2.6214	4.6757	4.5385	2.1678	1.0869	2.5294	3.0869	1.7686		1.7670
H11	3.9287	2.6214	4.6757	4.5385	2.1678	1.0869	3.0869	2.5294	1.7686	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.840	O2	N1	O3	115.030
O2	N1	O4	118.313	O2	C5	C6	104.129
O2	C5	H7	107.839	O2	C5	H8	107.839
O3	N1	O4	126.657	C5	C6	H9	108.905
C5	C6	H10	110.849	C5	C6	H11	110.849
C6	C5	H7	113.336	C6	C5	H8	113.336
H7	C5	H8	109.920	H9	C6	H10	108.714
H9	C6	H11	108.714	H10	C6	H11	108.758

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

using model chemistry: HF/CEP-31G

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	0.113
2	O	-0.231
3	O	-0.114
4	O	-0.171
5	C	-0.099
6	C	-0.206
7	H	0.166
8	H	0.166
9	H	0.122
10	H	0.127
11	H	0.127

	x	y	z	Total
	-5.044	0.428	0.000	5.063
CHELPG
AIM
ESP

	x	y	z
x	7.628	0.333	0.000
y	0.333	6.233	0.000
z	0.000	0.000	3.546

<r²>	147.546
(<r²>)^1/2	12.147

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

using model chemistry: HF/CEP-31G

States and conformations

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