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	hartrees
Energy at 0K	-356.179461
Energy at 298.15K	-356.187219
HF Energy	-355.468101
Nuclear repulsion energy	243.972659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	2993	14.54
2	A'	3094	2960	3.94
3	A'	3061	2928	8.97
4	A'	1600	1530	5.86
5	A'	1582	1514	4.99
6	A'	1512	1446	193.30
7	A'	1486	1421	8.52
8	A'	1425	1363	5.77
9	A'	1166	1115	16.77
10	A'	1142	1092	224.68
11	A'	1020	976	64.51
12	A'	938	897	37.20
13	A'	848	811	77.58
14	A'	678	649	1.37
15	A'	519	497	2.31
16	A'	375	359	4.48
17	A'	226	217	0.35
18	A"	3152	3015	30.74
19	A"	3130	2993	0.00
20	A"	1570	1502	6.29
21	A"	1326	1269	0.05
22	A"	1209	1156	5.12
23	A"	871	833	0.74
24	A"	666	637	17.46
25	A"	251	240	0.60
26	A"	115	110	2.04
27	A"	98	94	0.10

Atom	x (Å)	y (Å)	z (Å)
N1	1.124	-0.326	0.000
O2	0.000	0.628	0.000
O3	2.249	0.229	0.000
O4	0.828	-1.556	0.000
C5	-1.301	-0.104	0.000
C6	-2.353	1.018	0.000
H7	-1.367	-0.735	0.892
H8	-1.367	-0.735	-0.892
H9	-3.359	0.577	0.000
H10	-2.236	1.644	0.892
H11	-2.236	1.644	-0.892

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4745	1.2542	1.2655	2.4358	3.7281	2.6778	2.6778	4.5733	3.9955	3.9955
O2	1.4745		2.2845	2.3362	1.4934	2.3853	2.1265	2.1265	3.3593	2.6125	2.6125
O3	1.2542	2.2845		2.2814	3.5663	4.6697	3.8474	3.8474	5.6190	4.7867	4.7867
O4	1.2655	2.3362	2.2814		2.5776	4.0924	2.5083	2.5083	4.6994	4.5193	4.5193
C5	2.4358	1.4934	3.5663	2.5776		1.5379	1.0942	1.0942	2.1674	2.1735	2.1735
C6	3.7281	2.3853	4.6697	4.0924	1.5379		2.1996	2.1996	1.0979	1.0961	1.0961
H7	2.6778	2.1265	3.8474	2.5083	1.0942	2.1996		1.7838	2.5462	2.5320	3.0973
H8	2.6778	2.1265	3.8474	2.5083	1.0942	2.1996	1.7838		2.5462	3.0973	2.5320
H9	4.5733	3.3593	5.6190	4.6994	2.1674	1.0979	2.5462	2.5462		1.7876	1.7876
H10	3.9955	2.6125	4.7867	4.5193	2.1735	1.0961	2.5320	3.0973	1.7876		1.7839
H11	3.9955	2.6125	4.7867	4.5193	2.1735	1.0961	3.0973	2.5320	1.7876	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	110.316	O2	N1	O3	113.445
O2	N1	O4	116.790	O2	C5	C6	103.784
O2	C5	H7	109.572	O2	C5	H8	109.572
O3	N1	O4	129.766	C5	C6	H9	109.499
C5	C6	H10	110.078	C5	C6	H11	110.078
C6	C5	H7	112.279	C6	C5	H8	112.279
H7	C5	H8	109.205	H9	C6	H10	109.122
H9	C6	H11	109.122	H10	C6	H11	108.920

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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