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	hartrees
Energy at 0K	-359.284705
Energy at 298.15K	-359.277491
HF Energy	-357.514120
Nuclear repulsion energy	256.150804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3107	34.72
2	A'	3284	3094	1.26
3	A'	3224	3038	16.18
4	A'	1906	1796	722.49
5	A'	1672	1576	2.40
6	A'	1642	1548	8.18
7	A'	1612	1519	154.66
8	A'	1572	1481	101.75
9	A'	1519	1431	138.39
10	A'	1253	1180	24.08
11	A'	1187	1119	264.27
12	A'	1103	1039	15.26
13	A'	1003	945	6.16
14	A'	828	781	2.56
15	A'	644	607	16.98
16	A'	421	397	7.78
17	A'	251	237	0.55
18	A"	3349	3156	30.81
19	A"	3302	3111	10.94
20	A"	1628	1534	5.27
21	A"	1419	1337	1.35
22	A"	1297	1222	6.18
23	A"	918	865	29.21
24	A"	890	839	5.16
25	A"	275	259	0.55
26	A"	132	124	0.92
27	A"	109	103	0.93

Atom	x (Å)	y (Å)	z (Å)
N1	1.098	-0.319	0.000
O2	0.000	0.569	0.000
O3	2.170	0.262	0.000
O4	0.855	-1.519	0.000
C5	-1.279	-0.108	0.000
C6	-2.303	1.005	0.000
H7	-1.355	-0.740	0.888
H8	-1.355	-0.740	-0.888
H9	-3.307	0.573	0.000
H10	-2.193	1.630	0.887
H11	-2.193	1.630	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4123	1.2192	1.2244	2.3867	3.6495	2.6424	2.6424	4.4944	3.9265	3.9265
O2	1.4123		2.1919	2.2564	1.4470	2.3436	2.0827	2.0827	3.3068	2.5926	2.5926
O3	1.2192	2.1919		2.2137	3.4690	4.5342	3.7706	3.7706	5.4858	4.6578	4.6578
O4	1.2244	2.2564	2.2137		2.5588	4.0426	2.5056	2.5056	4.6582	4.4716	4.4716
C5	2.3867	1.4470	3.4690	2.5588		1.5117	1.0927	1.0927	2.1389	2.1546	2.1546
C6	3.6495	2.3436	4.5342	4.0426	1.5117		2.1754	2.1754	1.0930	1.0912	1.0912
H7	2.6424	2.0827	3.7706	2.5056	1.0927	2.1754		1.7751	2.5147	2.5144	3.0778
H8	2.6424	2.0827	3.7706	2.5056	1.0927	2.1754	1.7751		2.5147	3.0778	2.5144
H9	4.4944	3.3068	5.4858	4.6582	2.1389	1.0930	2.5147	2.5147		1.7738	1.7738
H10	3.9265	2.5926	4.6578	4.4716	2.1546	1.0912	2.5144	3.0778	1.7738		1.7747
H11	3.9265	2.5926	4.6578	4.4716	2.1546	1.0912	3.0778	2.5144	1.7738	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.381	O2	N1	O3	113.990
O2	N1	O4	118.050	O2	C5	C6	105.373
O2	C5	H7	108.773	O2	C5	H8	108.773
O3	N1	O4	127.960	C5	C6	H9	109.157
C5	C6	H10	110.925	C5	C6	H11	110.925
C6	C5	H7	112.328	C6	C5	H8	112.328
H7	C5	H8	109.103	H9	C6	H10	108.547
H9	C6	H11	108.547	H10	C6	H11	108.678

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

using model chemistry: G3

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: G3

States and conformations

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