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	hartrees
Energy at 0K	-358.576335
Energy at 298.15K	-358.584392
HF Energy	-357.539445
Nuclear repulsion energy	252.114764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3039	14.58
2	A'	3104	2969	10.74
3	A'	3085	2951	13.27
4	A'	1864	1784	434.53
5	A'	1532	1466	0.34
6	A'	1503	1438	4.42
7	A'	1461	1398	55.55
8	A'	1425	1363	107.84
9	A'	1378	1318	128.40
10	A'	1172	1122	26.47
11	A'	1102	1054	81.50
12	A'	981	939	155.23
13	A'	926	886	85.95
14	A'	755	723	4.42
15	A'	597	571	2.31
16	A'	396	378	1.74
17	A'	238	228	0.32
18	A"	3186	3048	26.35
19	A"	3158	3022	7.70
20	A"	1486	1421	5.67
21	A"	1304	1247	1.06
22	A"	1193	1142	4.99
23	A"	834	798	0.43
24	A"	806	771	19.38
25	A"	263	251	0.53
26	A"	125	119	1.14
27	A"	109	104	0.22

Atom	x (Å)	y (Å)	z (Å)
N1	1.100	-0.293	0.000
O2	0.000	0.554	0.000
O3	2.141	0.298	0.000
O4	0.893	-1.480	0.000
C5	-1.267	-0.137	0.000
C6	-2.321	0.960	0.000
H7	-1.338	-0.777	0.895
H8	-1.338	-0.777	-0.895
H9	-3.324	0.501	0.000
H10	-2.223	1.595	0.896
H11	-2.223	1.595	-0.896

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3885	1.1966	1.2051	2.3719	3.6431	2.6418	2.6418	4.4953	3.9255	3.9255
O2	1.3885		2.1561	2.2214	1.4426	2.3559	2.0887	2.0887	3.3248	2.6129	2.6129
O3	1.1966	2.1561		2.1722	3.4350	4.5104	3.7493	3.7493	5.4690	4.6397	4.6397
O4	1.2051	2.2214	2.1722		2.5431	4.0347	2.5041	2.5041	4.6594	4.4683	4.4683
C5	2.3719	1.4426	3.4350	2.5431		1.5210	1.1029	1.1029	2.1545	2.1717	2.1717
C6	3.6431	2.3559	4.5104	4.0347	1.5210		2.1873	2.1873	1.1034	1.1028	1.1028
H7	2.6418	2.0887	3.7493	2.5041	1.1029	2.1873		1.7902	2.5263	2.5321	3.1015
H8	2.6418	2.0887	3.7493	2.5041	1.1029	2.1873	1.7902		2.5263	3.1015	2.5321
H9	4.4953	3.3248	5.4690	4.6594	2.1545	1.1034	2.5263	2.5263		1.7925	1.7925
H10	3.9255	2.6129	4.6397	4.4683	2.1717	1.1028	2.5321	3.1015	1.7925		1.7919
H11	3.9255	2.6129	4.6397	4.4683	2.1717	1.1028	3.1015	2.5321	1.7925	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.802	O2	N1	O3	112.829
O2	N1	O4	117.678	O2	C5	C6	105.269
O2	C5	H7	109.554	O2	C5	H8	109.554
O3	N1	O4	129.493	C5	C6	H9	109.325
C5	C6	H10	110.718	C5	C6	H11	110.718
C6	C5	H7	111.953	C6	C5	H8	111.953
H7	C5	H8	108.498	H9	C6	H10	108.682
H9	C6	H11	108.682	H10	C6	H11	108.666

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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