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	hartrees
Energy at 0K	-358.549652
Energy at 298.15K	-358.557529
HF Energy	-357.501391
Nuclear repulsion energy	249.572140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3151	3031
2	A'	3089	2972
3	A'	3070	2954
4	A'	1727	1662
5	A'	1562	1502
6	A'	1540	1481
7	A'	1465	1410
8	A'	1421	1367
9	A'	1325	1275
10	A'	1166	1122
11	A'	1068	1027
12	A'	946	910
13	A'	873	840
14	A'	706	679
15	A'	562	541
16	A'	382	368
17	A'	231	222
18	A"	3165	3045
19	A"	3140	3021
20	A"	1529	1471
21	A"	1306	1256
22	A"	1205	1160
23	A"	842	810
24	A"	746	718
25	A"	259	250
26	A"	122	117
27	A"	97	93

Atom	x (Å)	y (Å)	z (Å)
N1	1.104	-0.314	0.000
O2	0.000	0.573	0.000
O3	2.173	0.267	0.000
O4	0.868	-1.516	0.000
C5	-1.284	-0.115	0.000
C6	-2.317	0.997	0.000
H7	-1.353	-0.749	0.891
H8	-1.353	-0.749	-0.891
H9	-3.323	0.558	0.000
H10	-2.209	1.626	0.891
H11	-2.209	1.626	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4158	1.2169	1.2255	2.3955	3.6630	2.6491	2.6491	4.5110	3.9411	3.9411
O2	1.4158		2.1942	2.2627	1.4566	2.3553	2.0914	2.0914	3.3225	2.6046	2.6046
O3	1.2169	2.1942		2.2100	3.4775	4.5486	3.7759	3.7759	5.5029	4.6737	4.6737
O4	1.2255	2.2627	2.2100		2.5676	4.0572	2.5127	2.5127	4.6756	4.4876	4.4876
C5	2.3955	1.4566	3.4775	2.5676		1.5182	1.0962	1.0962	2.1470	2.1641	2.1641
C6	3.6630	2.3553	4.5486	4.0572	1.5182		2.1852	2.1852	1.0975	1.0960	1.0960
H7	2.6491	2.0914	3.7759	2.5127	1.0962	2.1852		1.7827	2.5265	2.5254	3.0911
H8	2.6491	2.0914	3.7759	2.5127	1.0962	2.1852	1.7827		2.5265	3.0911	2.5254
H9	4.5110	3.3225	5.5029	4.6756	2.1470	1.0975	2.5265	2.5265		1.7819	1.7819
H10	3.9411	2.6046	4.6737	4.4876	2.1641	1.0960	2.5254	3.0911	1.7819		1.7823
H11	3.9411	2.6046	4.6737	4.4876	2.1641	1.0960	3.0911	2.5254	1.7819	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.004	O2	N1	O3	112.691
O2	N1	O4	117.704	O2	C5	C6	104.678
O2	C5	H7	109.207	O2	C5	H8	109.207
O3	N1	O4	129.605	C5	C6	H9	109.271
C5	C6	H10	110.712	C5	C6	H11	110.712
C6	C5	H7	112.403	C6	C5	H8	112.403
H7	C5	H8	108.812	H9	C6	H10	108.648
H9	C6	H11	108.648	H10	C6	H11	108.797

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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