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	hartrees
Energy at 0K	-358.578744
Energy at 298.15K	-358.586663
HF Energy	-357.522588
Nuclear repulsion energy	250.372665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3023	17.47
2	A'	3144	2972	10.17
3	A'	3113	2943	13.88
4	A'	1697	1604	483.68
5	A'	1567	1482	3.12
6	A'	1545	1461	5.52
7	A'	1475	1395	3.93
8	A'	1435	1356	11.66
9	A'	1347	1273	268.75
10	A'	1170	1106	9.48
11	A'	1072	1013	75.01
12	A'	959	907	109.21
13	A'	893	844	123.15
14	A'	721	681	4.74
15	A'	571	540	3.73
16	A'	385	364	1.53
17	A'	232	219	0.49
18	A"	3217	3042	30.76
19	A"	3197	3022	0.08
20	A"	1530	1447	6.57
21	A"	1312	1240	0.72
22	A"	1208	1142	4.18
23	A"	845	799	0.00
24	A"	764	722	12.65
25	A"	255	241	0.50
26	A"	113	107	1.36
27	A"	98	93	0.52

Atom	x (Å)	y (Å)	z (Å)
N1	1.103	-0.304	0.000
O2	0.000	0.562	0.000
O3	2.164	0.281	0.000
O4	0.881	-1.506	0.000
C5	-1.287	-0.124	0.000
C6	-2.319	0.985	0.000
H7	-1.351	-0.751	0.888
H8	-1.351	-0.751	-0.888
H9	-3.316	0.542	0.000
H10	-2.216	1.610	0.887
H11	-2.216	1.610	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4023	1.2121	1.2219	2.3962	3.6564	2.6471	2.6471	4.4985	3.9321	3.9321
O2	1.4023		2.1825	2.2477	1.4583	2.3571	2.0828	2.0828	3.3156	2.6064	2.6064
O3	1.2121	2.1825		2.1997	3.4747	4.5381	3.7694	3.7694	5.4861	4.6623	4.6623
O4	1.2219	2.2477	2.1997		2.5706	4.0551	2.5174	2.5174	4.6693	4.4813	4.4813
C5	2.3962	1.4583	3.4747	2.5706		1.5152	1.0891	1.0891	2.1353	2.1577	2.1577
C6	3.6564	2.3571	4.5381	4.0551	1.5152		2.1776	2.1776	1.0910	1.0896	1.0896
H7	2.6471	2.0828	3.7694	2.5174	1.0891	2.1776		1.7758	2.5143	2.5147	3.0779
H8	2.6471	2.0828	3.7694	2.5174	1.0891	2.1776	1.7758		2.5143	3.0779	2.5147
H9	4.4985	3.3156	5.4861	4.6693	2.1353	1.0910	2.5143	2.5143		1.7711	1.7711
H10	3.9321	2.6064	4.6623	4.4813	2.1577	1.0896	2.5147	3.0779	1.7711		1.7738
H11	3.9321	2.6064	4.6623	4.4813	2.1577	1.0896	3.0779	2.5147	1.7711	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.776	O2	N1	O3	112.991
O2	N1	O4	117.697	O2	C5	C6	104.861
O2	C5	H7	108.833	O2	C5	H8	108.833
O3	N1	O4	129.312	C5	C6	H9	108.942
C5	C6	H10	110.805	C5	C6	H11	110.805
C6	C5	H7	112.447	C6	C5	H8	112.447
H7	C5	H8	109.235	H9	C6	H10	108.630
H9	C6	H11	108.630	H10	C6	H11	108.975

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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