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	hartrees
Energy at 0K	-358.576564
Energy at 298.15K	-358.584589
HF Energy	-357.526719
Nuclear repulsion energy	252.119640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3013	15.04
2	A'	3175	2958	9.49
3	A'	3146	2930	11.92
4	A'	1819	1694	523.95
5	A'	1580	1472	2.28
6	A'	1554	1448	5.60
7	A'	1490	1388	1.58
8	A'	1458	1359	68.54
9	A'	1399	1303	229.81
10	A'	1187	1106	13.25
11	A'	1099	1024	105.89
12	A'	1002	934	151.92
13	A'	933	870	56.67
14	A'	751	700	1.34
15	A'	593	553	5.08
16	A'	397	370	2.83
17	A'	237	221	0.44
18	A"	3251	3028	27.04
19	A"	3230	3009	0.79
20	A"	1539	1434	7.11
21	A"	1327	1236	1.02
22	A"	1220	1136	4.45
23	A"	850	792	0.00
24	A"	788	734	13.63
25	A"	258	240	0.48
26	A"	116	108	1.17
27	A"	103	96	0.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.095	-0.290	0.000
O2	0.000	0.551	0.000
O3	2.147	0.296	0.000
O4	0.891	-1.486	0.000
C5	-1.277	-0.136	0.000
C6	-2.314	0.965	0.000
H7	-1.340	-0.763	0.885
H8	-1.340	-0.763	-0.885
H9	-3.305	0.517	0.000
H10	-2.215	1.589	0.884
H11	-2.215	1.589	-0.884

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3808	1.2043	1.2129	2.3766	3.6327	2.6334	2.6334	4.4732	3.9075	3.9075
O2	1.3808		2.1618	2.2234	1.4497	2.3509	2.0748	2.0748	3.3052	2.6011	2.6011
O3	1.2043	2.1618		2.1800	3.4506	4.5108	3.7499	3.7499	5.4562	4.6347	4.6347
O4	1.2129	2.2234	2.1800		2.5539	4.0349	2.5067	2.5067	4.6493	4.4591	4.4591
C5	2.3766	1.4497	3.4506	2.5539		1.5125	1.0863	1.0863	2.1306	2.1531	2.1531
C6	3.6327	2.3509	4.5108	4.0349	1.5125		2.1718	2.1718	1.0877	1.0865	1.0865
H7	2.6334	2.0748	3.7499	2.5067	1.0863	2.1718		1.7694	2.5060	2.5089	3.0698
H8	2.6334	2.0748	3.7499	2.5067	1.0863	2.1718	1.7694		2.5060	3.0698	2.5089
H9	4.4732	3.3052	5.4562	4.6493	2.1306	1.0877	2.5060	2.5060		1.7661	1.7661
H10	3.9075	2.6011	4.6347	4.4591	2.1531	1.0865	2.5089	3.0698	1.7661		1.7687
H11	3.9075	2.6011	4.6347	4.4591	2.1531	1.0865	3.0698	2.5089	1.7661	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	114.180	O2	N1	O3	113.323
O2	N1	O4	117.869	O2	C5	C6	105.029
O2	C5	H7	108.958	O2	C5	H8	108.958
O3	N1	O4	128.809	C5	C6	H9	108.946
C5	C6	H10	110.804	C5	C6	H11	110.804
C6	C5	H7	112.338	C6	C5	H8	112.338
H7	C5	H8	109.066	H9	C6	H10	108.635
H9	C6	H11	108.635	H10	C6	H11	108.962

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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