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	hartrees
Energy at 0K	-356.066493
Energy at 298.15K	-356.074411
HF Energy	-355.472956
Nuclear repulsion energy	246.555090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3008	13.78
2	A'	3205	2986	2.24
3	A'	3159	2943	7.90
4	A'	1643	1530	6.85
5	A'	1625	1514	5.59
6	A'	1534	1429	10.28
7	A'	1506	1403	243.06
8	A'	1473	1372	25.29
9	A'	1207	1125	107.27
10	A'	1191	1110	162.22
11	A'	1055	983	86.12
12	A'	977	911	45.16
13	A'	888	827	44.73
14	A'	706	658	1.82
15	A'	544	507	5.33
16	A'	388	362	7.03
17	A'	232	216	0.33
18	A"	3265	3041	22.96
19	A"	3234	3013	1.90
20	A"	1612	1502	7.32
21	A"	1368	1275	0.01
22	A"	1247	1162	6.43
23	A"	895	833	0.77
24	A"	713	664	23.79
25	A"	256	239	0.64
26	A"	120	111	2.37
27	A"	101	94	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	1.115	-0.308	0.000
O2	0.000	0.603	0.000
O3	2.221	0.252	0.000
O4	0.845	-1.531	0.000
C5	-1.298	-0.120	0.000
C6	-2.340	0.996	0.000
H7	-1.357	-0.744	0.885
H8	-1.357	-0.744	-0.885
H9	-3.339	0.560	0.000
H10	-2.224	1.618	0.885
H11	-2.224	1.618	-0.885

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4401	1.2395	1.2526	2.4198	3.6935	2.6612	2.6612	4.5377	3.9554	3.9554
O2	1.4401		2.2483	2.2959	1.4854	2.3733	2.1071	2.1071	3.3393	2.6003	2.6003
O3	1.2395	2.2483		2.2522	3.5378	4.6215	3.8174	3.8174	5.5682	4.7338	4.7338
O4	1.2526	2.2959	2.2522		2.5658	4.0666	2.5001	2.5001	4.6775	4.4861	4.4861
C5	2.4198	1.4854	3.5378	2.5658		1.5276	1.0850	1.0850	2.1516	2.1594	2.1594
C6	3.6935	2.3733	4.6215	4.0666	1.5276		2.1866	2.1866	1.0898	1.0880	1.0880
H7	2.6612	2.1071	3.8174	2.5001	1.0850	2.1866		1.7705	2.5325	2.5168	3.0771
H8	2.6612	2.1071	3.8174	2.5001	1.0850	2.1866	1.7705		2.5325	3.0771	2.5168
H9	4.5377	3.3393	5.5682	4.6775	2.1516	1.0898	2.5325	2.5325		1.7738	1.7738
H10	3.9554	2.6003	4.7338	4.4861	2.1594	1.0880	2.5168	3.0771	1.7738		1.7703
H11	3.9554	2.6003	4.7338	4.4861	2.1594	1.0880	3.0771	2.5168	1.7738	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	111.600	O2	N1	O3	113.868
O2	N1	O4	116.828	O2	C5	C6	103.929
O2	C5	H7	109.131	O2	C5	H8	109.131
O3	N1	O4	129.303	C5	C6	H9	109.437
C5	C6	H10	110.166	C5	C6	H11	110.166
C6	C5	H7	112.543	C6	C5	H8	112.543
H7	C5	H8	109.360	H9	C6	H10	109.075
H9	C6	H11	109.075	H10	C6	H11	108.896

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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