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	hartrees
Energy at 0K	-358.693092
Energy at 298.15K	-358.701076
HF Energy	-357.599656
Nuclear repulsion energy	251.172766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3027	13.53
2	A'	3105	2950	12.41
3	A'	3093	2939	11.27
4	A'	1872	1779	220.99
5	A'	1549	1472	3.13
6	A'	1522	1446	4.51
7	A'	1448	1376	1.35
8	A'	1413	1343	11.90
9	A'	1315	1250	253.80
10	A'	1170	1112	22.97
11	A'	1084	1030	65.75
12	A'	954	906	54.20
13	A'	878	834	280.79
14	A'	732	696	28.82
15	A'	583	554	0.27
16	A'	386	367	0.10
17	A'	233	222	0.44
18	A"	3198	3038	21.94
19	A"	3162	3005	10.35
20	A"	1503	1428	6.87
21	A"	1319	1253	1.00
22	A"	1205	1145	4.50
23	A"	843	801	0.03
24	A"	766	728	11.66
25	A"	263	250	0.56
26	A"	125	119	1.34
27	A"	101	96	0.18

Atom	x (Å)	y (Å)	z (Å)
N1	1.101	-0.320	0.000
O2	0.000	0.566	0.000
O3	2.158	0.260	0.000
O4	0.861	-1.508	0.000
C5	-1.271	-0.107	0.000
C6	-2.305	1.001	0.000
H7	-1.352	-0.739	0.888
H8	-1.352	-0.739	-0.888
H9	-3.306	0.560	0.000
H10	-2.198	1.626	0.888
H11	-2.198	1.626	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4135	1.2056	1.2119	2.3817	3.6534	2.6422	2.6422	4.4937	3.9321	3.9321
O2	1.4135		2.1800	2.2459	1.4384	2.3458	2.0786	2.0786	3.3056	2.5969	2.5969
O3	1.2056	2.1800		2.1923	3.4489	4.5247	3.7559	3.7559	5.4721	4.6513	4.6513
O4	1.2119	2.2459	2.1923		2.5513	4.0398	2.5054	2.5054	4.6516	4.4689	4.4689
C5	2.3817	1.4384	3.4489	2.5513		1.5155	1.0930	1.0930	2.1410	2.1570	2.1570
C6	3.6534	2.3458	4.5247	4.0398	1.5155		2.1736	2.1736	1.0932	1.0916	1.0916
H7	2.6422	2.0786	3.7559	2.5054	1.0930	2.1736		1.7762	2.5086	2.5123	3.0767
H8	2.6422	2.0786	3.7559	2.5054	1.0930	2.1736	1.7762		2.5086	3.0767	2.5123
H9	4.4937	3.3056	5.4721	4.6516	2.1410	1.0932	2.5086	2.5086		1.7757	1.7757
H10	3.9321	2.5969	4.6513	4.4689	2.1570	1.0916	2.5123	3.0767	1.7757		1.7762
H11	3.9321	2.5969	4.6513	4.4689	2.1570	1.0916	3.0767	2.5123	1.7757	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.254	O2	N1	O3	112.438
O2	N1	O4	117.414	O2	C5	C6	105.119
O2	C5	H7	109.634	O2	C5	H8	109.634
O3	N1	O4	130.148	C5	C6	H9	109.244
C5	C6	H10	110.603	C5	C6	H11	110.603
C6	C5	H7	111.855	C6	C5	H8	111.855
H7	C5	H8	108.681	H9	C6	H10	108.728
H9	C6	H11	108.728	H10	C6	H11	108.891

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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