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	hartrees
Energy at 0K	-356.199696
Energy at 298.15K	-356.207438
HF Energy	-355.462261
Nuclear repulsion energy	242.107633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3014	12.61
2	A'	3123	2960	7.04
3	A'	3105	2944	8.73
4	A'	1709	1620	13.82
5	A'	1618	1534	4.95
6	A'	1603	1520	7.56
7	A'	1499	1421	7.68
8	A'	1431	1356	3.98
9	A'	1169	1108	8.81
10	A'	1093	1036	257.98
11	A'	1016	963	66.59
12	A'	923	875	53.04
13	A'	821	778	168.26
14	A'	668	633	2.56
15	A'	509	483	0.12
16	A'	368	349	1.07
17	A'	223	211	0.45
18	A"	3199	3032	25.02
19	A"	3171	3006	8.30
20	A"	1591	1508	6.37
21	A"	1339	1269	0.16
22	A"	1215	1152	4.20
23	A"	881	835	1.08
24	A"	653	619	10.89
25	A"	263	249	0.59
26	A"	121	115	1.91
27	A"	95	91	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	1.125	-0.350	0.000
O2	0.000	0.643	0.000
O3	2.278	0.201	0.000
O4	0.796	-1.586	0.000
C5	-1.307	-0.079	0.000
C6	-2.344	1.051	0.000
H7	-1.384	-0.709	0.889
H8	-1.384	-0.709	-0.889
H9	-3.352	0.625	0.000
H10	-2.219	1.674	0.889
H11	-2.219	1.674	-0.889

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5004	1.2779	1.2799	2.4467	3.7414	2.6860	2.6860	4.5819	4.0082	4.0082
O2	1.5004		2.3208	2.3676	1.4934	2.3795	2.1295	2.1295	3.3524	2.6031	2.6031
O3	1.2779	2.3208		2.3220	3.5960	4.7001	3.8769	3.8769	5.6464	4.8151	4.8151
O4	1.2799	2.3676	2.3220		2.5870	4.1010	2.5125	2.5125	4.7006	4.5286	4.5286
C5	2.4467	1.4934	3.5960	2.5870		1.5345	1.0920	1.0920	2.1632	2.1669	2.1669
C6	3.7414	2.3795	4.7001	4.1010	1.5345		2.1933	2.1933	1.0946	1.0923	1.0923
H7	2.6860	2.1295	3.8769	2.5125	1.0920	2.1933		1.7778	2.5381	2.5246	3.0878
H8	2.6860	2.1295	3.8769	2.5125	1.0920	2.1933	1.7778		2.5381	3.0878	2.5246
H9	4.5819	3.3524	5.6464	4.7006	2.1632	1.0946	2.5381	2.5381		1.7818	1.7818
H10	4.0082	2.6031	4.8151	4.5286	2.1669	1.0923	2.5246	3.0878	1.7818		1.7778
H11	4.0082	2.6031	4.8151	4.5286	2.1669	1.0923	3.0878	2.5246	1.7818	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	109.621	O2	N1	O3	113.057
O2	N1	O4	116.537	O2	C5	C6	103.593
O2	C5	H7	109.932	O2	C5	H8	109.932
O3	N1	O4	130.406	C5	C6	H9	109.591
C5	C6	H10	110.019	C5	C6	H11	110.019
C6	C5	H7	112.146	C6	C5	H8	112.146
H7	C5	H8	108.983	H9	C6	H10	109.126
H9	C6	H11	109.126	H10	C6	H11	108.937

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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