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	hartrees
Energy at 0K	-357.908662
Energy at 298.15K	-357.916570
HF Energy	-357.313193
Nuclear repulsion energy	247.499266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3018	17.43
2	A'	3186	2988	3.44
3	A'	3139	2944	11.77
4	A'	1634	1533	387.50
5	A'	1618	1517	6.14
6	A'	1599	1500	13.39
7	A'	1533	1438	10.07
8	A'	1483	1391	4.61
9	A'	1301	1220	229.89
10	A'	1200	1126	10.58
11	A'	1074	1008	68.06
12	A'	973	913	147.80
13	A'	892	837	70.99
14	A'	724	679	3.02
15	A'	563	528	9.55
16	A'	384	360	4.95
17	A'	226	212	0.65
18	A"	3254	3052	26.22
19	A"	3227	3027	2.52
20	A"	1587	1488	8.08
21	A"	1356	1271	0.04
22	A"	1247	1169	7.36
23	A"	884	829	0.42
24	A"	753	706	21.14
25	A"	249	234	0.85
26	A"	115	108	2.83
27	A"	92	87	0.65

Atom	x (Å)	y (Å)	z (Å)
N1	1.110	-0.310	0.000
O2	0.000	0.555	0.000
O3	2.193	0.268	0.000
O4	0.893	-1.534	0.000
C5	-1.328	-0.120	0.000
C6	-2.327	1.025	0.000
H7	-1.394	-0.745	0.888
H8	-1.394	-0.745	-0.888
H9	-3.341	0.619	0.000
H10	-2.201	1.648	0.886
H11	-2.201	1.648	-0.886

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4074	1.2280	1.2427	2.4451	3.6874	2.6923	2.6923	4.5473	3.9477	3.9477
O2	1.4074		2.2122	2.2715	1.4893	2.3741	2.1029	2.1029	3.3419	2.6125	2.6125
O3	1.2280	2.2122		2.2222	3.5424	4.5836	3.8322	3.8322	5.5459	4.6907	4.6907
O4	1.2427	2.2715	2.2222		2.6324	4.1128	2.5769	2.5769	4.7498	4.5256	4.5256
C5	2.4451	1.4893	3.5424	2.6324		1.5197	1.0880	1.0880	2.1448	2.1617	2.1617
C6	3.6874	2.3741	4.5836	4.1128	1.5197		2.1891	2.1891	1.0926	1.0903	1.0903
H7	2.6923	2.1029	3.8322	2.5769	1.0880	2.1891		1.7757	2.5376	2.5255	3.0861
H8	2.6923	2.1029	3.8322	2.5769	1.0880	2.1891	1.7757		2.5376	3.0861	2.5255
H9	4.5473	3.3419	5.5459	4.7498	2.1448	1.0926	2.5376	2.5376		1.7731	1.7731
H10	3.9477	2.6125	4.6907	4.5256	2.1617	1.0903	2.5255	3.0861	1.7731		1.7718
H11	3.9477	2.6125	4.6907	4.5256	2.1617	1.0903	3.0861	2.5255	1.7731	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	115.128	O2	N1	O3	113.983
O2	N1	O4	117.861	O2	C5	C6	104.182
O2	C5	H7	108.356	O2	C5	H8	108.356
O3	N1	O4	128.157	C5	C6	H9	109.288
C5	C6	H10	110.761	C5	C6	H11	110.761
C6	C5	H7	113.124	C6	C5	H8	113.124
H7	C5	H8	109.383	H9	C6	H10	108.640
H9	C6	H11	108.640	H10	C6	H11	108.696

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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