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	hartrees
Energy at 0K	-358.918268
Energy at 298.15K	-358.926348
HF Energy	-357.652740
Nuclear repulsion energy	253.676029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2952	13.90
2	A'	3108	2901	8.95
3	A'	3080	2876	10.02
4	A'	1820	1699	502.80
5	A'	1551	1448	1.82
6	A'	1522	1421	5.04
7	A'	1463	1366	26.92
8	A'	1433	1338	80.00
9	A'	1385	1293	189.89
10	A'	1177	1099	22.05
11	A'	1098	1026	107.97
12	A'	997	931	154.66
13	A'	934	872	52.69
14	A'	763	712	2.36
15	A'	604	564	3.76
16	A'	397	370	2.30
17	A'	238	222	0.40
18	A"	3175	2964	26.29
19	A"	3153	2944	0.29
20	A"	1508	1408	6.26
21	A"	1318	1231	1.07
22	A"	1205	1125	3.96
23	A"	841	785	1.80
24	A"	823	769	14.07
25	A"	256	239	0.48
26	A"	126	118	0.93
27	A"	106	99	0.43

Atom	x (Å)	y (Å)	z (Å)
N1	1.094	-0.283	0.000
O2	0.000	0.551	0.000
O3	2.130	0.305	0.000
O4	0.895	-1.466	0.000
C5	-1.261	-0.143	0.000
C6	-2.315	0.941	0.000
H7	-1.324	-0.773	0.884
H8	-1.324	-0.773	-0.884
H9	-3.302	0.480	0.000
H10	-2.226	1.569	0.884
H11	-2.226	1.569	-0.884

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3754	1.1911	1.1996	2.3590	3.6223	2.6208	2.6208	4.4617	3.9029	3.9029
O2	1.3754		2.1443	2.2059	1.4389	2.3479	2.0705	2.0705	3.3027	2.6025	2.6025
O3	1.1911	2.1443		2.1591	3.4203	4.4907	3.7249	3.7249	5.4349	4.6211	4.6211
O4	1.1996	2.2059	2.1591		2.5289	4.0118	2.4865	2.4865	4.6257	4.4415	4.4415
C5	2.3590	1.4389	3.4203	2.5289		1.5121	1.0875	1.0875	2.1342	2.1547	2.1547
C6	3.6223	2.3479	4.4907	4.0118	1.5121		2.1685	2.1685	1.0889	1.0881	1.0881
H7	2.6208	2.0705	3.7249	2.4865	1.0875	2.1685		1.7678	2.5030	2.5096	3.0699
H8	2.6208	2.0705	3.7249	2.4865	1.0875	2.1685	1.7678		2.5030	3.0699	2.5096
H9	4.4617	3.3027	5.4349	4.6257	2.1342	1.0889	2.5030	2.5030		1.7676	1.7676
H10	3.9029	2.6025	4.6211	4.4415	2.1547	1.0881	2.5096	3.0699	1.7676		1.7685
H11	3.9029	2.6025	4.6211	4.4415	2.1547	1.0881	3.0699	2.5096	1.7676	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.880	O2	N1	O3	113.137
O2	N1	O4	117.728	O2	C5	C6	105.398
O2	C5	H7	109.289	O2	C5	H8	109.289
O3	N1	O4	129.135	C5	C6	H9	109.189
C5	C6	H10	110.871	C5	C6	H11	110.871
C6	C5	H7	112.018	C6	C5	H8	112.018
H7	C5	H8	108.739	H9	C6	H10	108.570
H9	C6	H11	108.570	H10	C6	H11	108.709

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

using model chemistry: CCD/cc-pVTZ

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-pVTZ

States and conformations

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