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	hartrees
Energy at 0K	-358.694648
Energy at 298.15K	-358.702722
HF Energy	-357.605283
Nuclear repulsion energy	252.902193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3021	17.52
2	A'	3106	2966	10.38
3	A'	3079	2941	11.94
4	A'	1851	1768	481.31
5	A'	1557	1487	0.92
6	A'	1526	1457	4.41
7	A'	1474	1408	18.70
8	A'	1440	1375	94.17
9	A'	1395	1332	188.77
10	A'	1184	1130	24.77
11	A'	1103	1053	96.81
12	A'	996	951	155.59
13	A'	938	896	65.24
14	A'	765	731	3.00
15	A'	604	577	3.05
16	A'	399	381	2.00
17	A'	240	229	0.34
18	A"	3175	3033	33.14
19	A"	3153	3011	1.85
20	A"	1508	1440	5.97
21	A"	1328	1269	1.41
22	A"	1212	1158	4.82
23	A"	845	807	0.34
24	A"	804	768	17.42
25	A"	258	247	0.54
26	A"	121	116	1.10
27	A"	106	102	0.49

Atom	x (Å)	y (Å)	z (Å)
N1	1.097	-0.292	0.000
O2	0.000	0.549	0.000
O3	2.134	0.296	0.000
O4	0.895	-1.477	0.000
C5	-1.266	-0.137	0.000
C6	-2.316	0.961	0.000
H7	-1.337	-0.769	0.889
H8	-1.337	-0.769	-0.889
H9	-3.312	0.506	0.000
H10	-2.217	1.589	0.889
H11	-2.217	1.589	-0.889

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3826	1.1923	1.2017	2.3683	3.6358	2.6352	2.6352	4.4802	3.9133	3.9133
O2	1.3826		2.1492	2.2147	1.4400	2.3522	2.0777	2.0777	3.3118	2.6053	2.6053
O3	1.1923	2.1492		2.1631	3.4278	4.4995	3.7386	3.7386	5.4498	4.6256	4.6256
O4	1.2017	2.2147	2.1631		2.5426	4.0311	2.5046	2.5046	4.6501	4.4580	4.4580
C5	2.3683	1.4400	3.4278	2.5426		1.5188	1.0932	1.0932	2.1439	2.1619	2.1619
C6	3.6358	2.3522	4.4995	4.0311	1.5188		2.1772	2.1772	1.0946	1.0934	1.0934
H7	2.6352	2.0777	3.7386	2.5046	1.0932	2.1772		1.7775	2.5125	2.5171	3.0818
H8	2.6352	2.0777	3.7386	2.5046	1.0932	2.1772	1.7775		2.5125	3.0818	2.5171
H9	4.4802	3.3118	5.4498	4.6501	2.1439	1.0946	2.5125	2.5125		1.7783	1.7783
H10	3.9133	2.6053	4.6256	4.4580	2.1619	1.0934	2.5171	3.0818	1.7783		1.7787
H11	3.9133	2.6053	4.6256	4.4580	2.1619	1.0934	3.0818	2.5171	1.7783	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	114.065	O2	N1	O3	112.952
O2	N1	O4	117.794	O2	C5	C6	105.280
O2	C5	H7	109.449	O2	C5	H8	109.449
O3	N1	O4	129.254	C5	C6	H9	109.168
C5	C6	H10	110.657	C5	C6	H11	110.657
C6	C5	H7	111.902	C6	C5	H8	111.902
H7	C5	H8	108.781	H9	C6	H10	108.733
H9	C6	H11	108.733	H10	C6	H11	108.848

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

using model chemistry: CCD/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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All results from a given calculation for C2H5NO3 (Nitric acid, ethyl ester)

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

States and conformations

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