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	hartrees
Energy at 0K	-358.745899
Energy at 298.15K	-358.753822
HF Energy	-357.632569
Nuclear repulsion energy	251.421248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3018	18.84
2	A'	3107	2968	10.50
3	A'	3080	2942	13.05
4	A'	1696	1620	495.92
5	A'	1555	1486	4.05
6	A'	1528	1460	4.89
7	A'	1466	1400	3.30
8	A'	1432	1368	8.35
9	A'	1341	1281	264.61
10	A'	1169	1117	13.95
11	A'	1072	1024	76.73
12	A'	960	917	92.41
13	A'	904	864	144.11
14	A'	731	699	11.84
15	A'	582	556	2.60
16	A'	385	368	0.83
17	A'	233	223	0.45
18	A"	3176	3034	33.93
19	A"	3154	3013	0.47
20	A"	1507	1439	5.50
21	A"	1315	1256	0.84
22	A"	1211	1157	3.80
23	A"	846	809	0.01
24	A"	750	717	12.59
25	A"	249	238	0.51
26	A"	110	105	0.78
27	A"	92	88	1.00

Atom	x (Å)	y (Å)	z (Å)
N1	1.104	-0.308	0.000
O2	0.000	0.563	0.000
O3	2.154	0.271	0.000
O4	0.882	-1.496	0.000
C5	-1.277	-0.118	0.000
C6	-2.317	0.984	0.000
H7	-1.349	-0.746	0.888
H8	-1.349	-0.746	-0.888
H9	-3.310	0.532	0.000
H10	-2.218	1.609	0.888
H11	-2.218	1.609	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4059	1.1991	1.2092	2.3884	3.6559	2.6451	2.6451	4.4928	3.9368	3.9368
O2	1.4059		2.1738	2.2404	1.4475	2.3545	2.0791	2.0791	3.3103	2.6083	2.6083
O3	1.1991	2.1738		2.1774	3.4531	4.5272	3.7542	3.7542	5.4704	4.6581	4.6581
O4	1.2092	2.2404	2.1774		2.5615	4.0473	2.5156	2.5156	4.6565	4.4769	4.4769
C5	2.3884	1.4475	3.4531	2.5615		1.5145	1.0899	1.0899	2.1341	2.1577	2.1577
C6	3.6559	2.3545	4.5272	4.0473	1.5145		2.1716	2.1716	1.0916	1.0902	1.0902
H7	2.6451	2.0791	3.7542	2.5156	1.0899	2.1716		1.7757	2.5030	2.5101	3.0746
H8	2.6451	2.0791	3.7542	2.5156	1.0899	2.1716	1.7757		2.5030	3.0746	2.5101
H9	4.4928	3.3103	5.4704	4.6565	2.1341	1.0916	2.5030	2.5030		1.7722	1.7722
H10	3.9368	2.6083	4.6581	4.4769	2.1577	1.0902	2.5101	3.0746	1.7722		1.7754
H11	3.9368	2.6083	4.6581	4.4769	2.1577	1.0902	3.0746	2.5101	1.7722	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.648	O2	N1	O3	112.877
O2	N1	O4	117.709	O2	C5	C6	105.271
O2	C5	H7	109.234	O2	C5	H8	109.234
O3	N1	O4	129.414	C5	C6	H9	108.863
C5	C6	H10	110.814	C5	C6	H11	110.814
C6	C5	H7	111.949	C6	C5	H8	111.949
H7	C5	H8	109.095	H9	C6	H10	108.634
H9	C6	H11	108.634	H10	C6	H11	109.027

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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