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	hartrees
Energy at 0K	-71.010690
Energy at 298.15K	-71.018321
HF Energy	-70.294149
Nuclear repulsion energy	134.641217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3018	25.41
2	A'	3027	2954	12.64
3	A'	2987	2916	20.69
4	A'	1794	1751	68.86
5	A'	1539	1502	5.05
6	A'	1522	1485	6.00
7	A'	1457	1422	8.81
8	A'	1411	1377	2.47
9	A'	1179	1151	244.25
10	A'	1134	1106	23.89
11	A'	1017	993	44.18
12	A'	882	861	85.52
13	A'	800	781	274.88
14	A'	654	639	5.98
15	A'	510	498	0.75
16	A'	353	344	0.12
17	A'	208	203	0.59
18	A"	3123	3048	48.66
19	A"	3100	3025	0.41
20	A"	1511	1475	7.55
21	A"	1278	1247	0.00
22	A"	1178	1149	4.79
23	A"	836	816	0.40
24	A"	655	640	3.89
25	A"	229	223	0.81
26	A"	109	106	3.21
27	A"	90	88	0.19

Atom	x (Å)	y (Å)	z (Å)
N1	1.127	-0.363	0.000
O2	0.000	0.605	0.000
O3	2.282	0.206	0.000
O4	0.846	-1.624	0.000
C5	-1.356	-0.070	0.000
C6	-2.351	1.112	0.000
H7	-1.433	-0.697	0.901
H8	-1.433	-0.697	-0.901
H9	-3.379	0.711	0.000
H10	-2.214	1.735	0.896
H11	-2.214	1.735	-0.896

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4860	1.2869	1.2923	2.5002	3.7782	2.7346	2.7346	4.6321	4.0457	4.0457
O2	1.4860		2.3168	2.3842	1.5146	2.4051	2.1353	2.1353	3.3803	2.6420	2.6420
O3	1.2869	2.3168		2.3261	3.6480	4.7210	3.9275	3.9275	5.6831	4.8328	4.8328
O4	1.2923	2.3842	2.3261		2.6942	4.2075	2.6196	2.6196	4.8263	4.6307	4.6307
C5	2.5002	1.5146	3.6480	2.6942		1.5455	1.1000	1.1000	2.1685	2.1903	2.1903
C6	3.7782	2.4051	4.7210	4.2075	1.5455		2.2194	2.2194	1.1031	1.0998	1.0998
H7	2.7346	2.1353	3.9275	2.6196	1.1000	2.2194		1.8018	2.5647	2.5536	3.1226
H8	2.7346	2.1353	3.9275	2.6196	1.1000	2.2194	1.8018		2.5647	3.1226	2.5536
H9	4.6321	3.3803	5.6831	4.8263	2.1685	1.1031	2.5647	2.5647		1.7911	1.7911
H10	4.0457	2.6420	4.8328	4.6307	2.1903	1.0998	2.5536	3.1226	1.7911		1.7925
H11	4.0457	2.6420	4.8328	4.6307	2.1903	1.0998	3.1226	2.5536	1.7911	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.859	O2	N1	O3	113.140
O2	N1	O4	118.051	O2	C5	C6	103.613
O2	C5	H7	108.472	O2	C5	H8	108.472
O3	N1	O4	128.809	C5	C6	H9	108.765
C5	C6	H10	110.653	C5	C6	H11	110.653
C6	C5	H7	112.976	C6	C5	H8	112.976
H7	C5	H8	109.974	H9	C6	H10	108.786
H9	C6	H11	108.786	H10	C6	H11	109.153

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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