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	hartrees
Energy at 0K	-358.571805
Energy at 298.15K	-358.579689
HF Energy	-357.501217
Nuclear repulsion energy	249.586725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3150	3150
2	A'	3087	3087
3	A'	3070	3070
4	A'	1721	1721
5	A'	1562	1562
6	A'	1540	1540
7	A'	1466	1466
8	A'	1421	1421
9	A'	1323	1323
10	A'	1167	1167
11	A'	1068	1068
12	A'	945	945
13	A'	866	866
14	A'	703	703
15	A'	561	561
16	A'	382	382
17	A'	231	231
18	A"	3164	3164
19	A"	3138	3138
20	A"	1529	1529
21	A"	1307	1307
22	A"	1206	1206
23	A"	843	843
24	A"	747	747
25	A"	261	261
26	A"	124	124
27	A"	99	99

Atom	x (Å)	y (Å)	z (Å)
N1	1.104	-0.316	0.000
O2	0.000	0.574	0.000
O3	2.173	0.263	0.000
O4	0.864	-1.518	0.000
C5	-1.283	-0.112	0.000
C6	-2.315	1.000	0.000
H7	-1.353	-0.746	0.891
H8	-1.353	-0.746	-0.891
H9	-3.321	0.561	0.000
H10	-2.207	1.629	0.891
H11	-2.207	1.629	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4182	1.2165	1.2254	2.3954	3.6631	2.6484	2.6484	4.5106	3.9419	3.9419
O2	1.4182		2.1956	2.2639	1.4550	2.3536	2.0902	2.0902	3.3207	2.6032	2.6032
O3	1.2165	2.1956		2.2105	3.4766	4.5483	3.7746	3.7746	5.5022	4.6741	4.6741
O4	1.2254	2.2639	2.2105		2.5667	4.0554	2.5111	2.5111	4.6732	4.4867	4.4867
C5	2.3954	1.4550	3.4766	2.5667		1.5169	1.0961	1.0961	2.1461	2.1629	2.1629
C6	3.6631	2.3536	4.5483	4.0554	1.5169		2.1837	2.1837	1.0973	1.0958	1.0958
H7	2.6484	2.0902	3.7746	2.5111	1.0961	2.1837		1.7821	2.5252	2.5241	3.0897
H8	2.6484	2.0902	3.7746	2.5111	1.0961	2.1837	1.7821		2.5252	3.0897	2.5241
H9	4.5106	3.3207	5.5022	4.6732	2.1461	1.0973	2.5252	2.5252		1.7813	1.7813
H10	3.9419	2.6032	4.6741	4.4867	2.1629	1.0958	2.5241	3.0897	1.7813		1.7816
H11	3.9419	2.6032	4.6741	4.4867	2.1629	1.0958	3.0897	2.5241	1.7813	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.951	O2	N1	O3	112.655
O2	N1	O4	117.638	O2	C5	C6	104.719
O2	C5	H7	109.227	O2	C5	H8	109.227
O3	N1	O4	129.707	C5	C6	H9	109.314
C5	C6	H10	110.724	C5	C6	H11	110.724
C6	C5	H7	112.385	C6	C5	H8	112.385
H7	C5	H8	108.774	H9	C6	H10	108.629
H9	C6	H11	108.629	H10	C6	H11	108.768

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

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