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	hartrees
Energy at 0K	-358.515963
Energy at 298.15K	-358.523927
HF Energy	-357.504882
Nuclear repulsion energy	250.601762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3013	15.97
2	A'	3109	2961	9.08
3	A'	3084	2937	11.16
4	A'	1737	1654	394.73
5	A'	1570	1495	2.62
6	A'	1547	1474	5.59
7	A'	1477	1407	2.29
8	A'	1438	1370	30.61
9	A'	1362	1297	244.48
10	A'	1177	1120	15.06
11	A'	1082	1030	74.31
12	A'	969	923	104.33
13	A'	904	861	107.42
14	A'	727	692	3.14
15	A'	577	549	3.22
16	A'	390	372	2.22
17	A'	235	224	0.41
18	A"	3179	3028	29.90
19	A"	3158	3008	1.98
20	A"	1535	1462	6.51
21	A"	1317	1254	0.27
22	A"	1214	1156	4.81
23	A"	848	808	0.08
24	A"	774	737	18.67
25	A"	263	250	0.50
26	A"	125	119	1.27
27	A"	102	97	0.32

Atom	x (Å)	y (Å)	z (Å)
N1	1.100	-0.303	0.000
O2	0.000	0.563	0.000
O3	2.160	0.284	0.000
O4	0.880	-1.503	0.000
C5	-1.281	-0.126	0.000
C6	-2.316	0.981	0.000
H7	-1.348	-0.760	0.890
H8	-1.348	-0.760	-0.890
H9	-3.320	0.540	0.000
H10	-2.212	1.611	0.890
H11	-2.212	1.611	-0.890

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3999	1.2110	1.2201	2.3882	3.6503	2.6447	2.6447	4.5002	3.9273	3.9273
O2	1.3999		2.1779	2.2452	1.4546	2.3541	2.0874	2.0874	3.3202	2.6042	2.6042
O3	1.2110	2.1779		2.1975	3.4656	4.5306	3.7663	3.7663	5.4861	4.6545	4.6545
O4	1.2201	2.2452	2.1975		2.5627	4.0486	2.5116	2.5116	4.6709	4.4773	4.4773
C5	2.3882	1.4546	3.4656	2.5627		1.5161	1.0946	1.0946	2.1450	2.1620	2.1620
C6	3.6503	2.3541	4.5306	4.0486	1.5161		2.1824	2.1824	1.0963	1.0949	1.0949
H7	2.6447	2.0874	3.7663	2.5116	1.0946	2.1824		1.7799	2.5244	2.5230	3.0877
H8	2.6447	2.0874	3.7663	2.5116	1.0946	2.1824	1.7799		2.5244	3.0877	2.5230
H9	4.5002	3.3202	5.4861	4.6709	2.1450	1.0963	2.5244	2.5244		1.7795	1.7795
H10	3.9273	2.6042	4.6545	4.4773	2.1620	1.0949	2.5230	3.0877	1.7795		1.7800
H11	3.9273	2.6042	4.6545	4.4773	2.1620	1.0949	3.0877	2.5230	1.7795	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.560	O2	N1	O3	112.859
O2	N1	O4	117.782	O2	C5	C6	104.803
O2	C5	H7	109.125	O2	C5	H8	109.125
O3	N1	O4	129.359	C5	C6	H9	109.327
C5	C6	H10	110.757	C5	C6	H11	110.757
C6	C5	H7	112.428	C6	C5	H8	112.428
H7	C5	H8	108.798	H9	C6	H10	108.597
H9	C6	H11	108.597	H10	C6	H11	108.749

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

using model chemistry: QCISD/6-31G*

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

using model chemistry: QCISD/6-31G*

States and conformations

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