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	hartrees
Energy at 0K	-358.491485
Energy at 298.15K	-358.499532
HF Energy	-357.508572
Nuclear repulsion energy	252.053060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3006	12.77
2	A'	3143	2950	8.06
3	A'	3121	2929	8.97
4	A'	1854	1740	423.22
5	A'	1582	1485	1.90
6	A'	1558	1462	5.77
7	A'	1493	1401	6.03
8	A'	1464	1374	105.04
9	A'	1403	1317	184.74
10	A'	1193	1119	19.19
11	A'	1105	1037	100.08
12	A'	1009	947	143.65
13	A'	940	882	49.10
14	A'	754	708	1.09
15	A'	596	560	4.52
16	A'	401	376	3.48
17	A'	240	226	0.38
18	A"	3216	3019	23.63
19	A"	3194	2998	3.25
20	A"	1546	1451	7.13
21	A"	1329	1248	0.40
22	A"	1225	1150	5.18
23	A"	854	801	0.07
24	A"	793	744	19.64
25	A"	264	248	0.47
26	A"	126	118	1.22
27	A"	105	98	0.37

Atom	x (Å)	y (Å)	z (Å)
N1	1.094	-0.289	0.000
O2	0.000	0.553	0.000
O3	2.145	0.299	0.000
O4	0.891	-1.484	0.000
C5	-1.273	-0.139	0.000
C6	-2.315	0.961	0.000
H7	-1.337	-0.772	0.888
H8	-1.337	-0.772	-0.888
H9	-3.313	0.513	0.000
H10	-2.215	1.589	0.888
H11	-2.215	1.589	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3810	1.2042	1.2122	2.3726	3.6315	2.6331	2.6331	4.4795	3.9072	3.9072
O2	1.3810		2.1600	2.2237	1.4494	2.3508	2.0814	2.0814	3.3130	2.6013	2.6013
O3	1.2042	2.1600		2.1802	3.4465	4.5091	3.7498	3.7498	5.4620	4.6325	4.6325
O4	1.2122	2.2237	2.1802		2.5485	4.0322	2.5020	2.5020	4.6541	4.4586	4.4586
C5	2.3726	1.4494	3.4465	2.5485		1.5149	1.0923	1.0923	2.1409	2.1588	2.1588
C6	3.6315	2.3508	4.5091	4.0322	1.5149		2.1790	2.1790	1.0936	1.0924	1.0924
H7	2.6331	2.0814	3.7498	2.5020	1.0923	2.1790		1.7756	2.5184	2.5188	3.0820
H8	2.6331	2.0814	3.7498	2.5020	1.0923	2.1790	1.7756		2.5184	3.0820	2.5188
H9	4.4795	3.3130	5.4620	4.6541	2.1409	1.0936	2.5184	2.5184		1.7756	1.7756
H10	3.9072	2.6013	4.6325	4.4586	2.1588	1.0924	2.5188	3.0820	1.7756		1.7763
H11	3.9072	2.6013	4.6325	4.4586	2.1588	1.0924	3.0820	2.5188	1.7756	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.892	O2	N1	O3	113.164
O2	N1	O4	117.929	O2	C5	C6	104.921
O2	C5	H7	109.145	O2	C5	H8	109.145
O3	N1	O4	128.906	C5	C6	H9	109.253
C5	C6	H10	110.743	C5	C6	H11	110.743
C6	C5	H7	112.379	C6	C5	H8	112.379
H7	C5	H8	108.747	H9	C6	H10	108.633
H9	C6	H11	108.633	H10	C6	H11	108.782

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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