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	hartrees
Energy at 0K	-70.928981
Energy at 298.15K	-70.936576
HF Energy	-70.280988
Nuclear repulsion energy	134.172935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3046	36.99
2	A'	3087	2983	20.51
3	A'	3050	2948	26.84
4	A'	1815	1754	53.38
5	A'	1538	1486	5.55
6	A'	1528	1476	5.88
7	A'	1460	1410	8.77
8	A'	1408	1360	2.28
9	A'	1190	1149	254.53
10	A'	1141	1103	23.63
11	A'	1023	989	41.09
12	A'	890	860	100.78
13	A'	813	786	240.12
14	A'	656	634	3.06
15	A'	510	493	0.93
16	A'	352	340	0.47
17	A'	207	200	0.52
18	A"	3183	3076	76.56
19	A"	3162	3055	0.54
20	A"	1512	1461	7.39
21	A"	1284	1241	0.32
22	A"	1179	1139	5.35
23	A"	850	821	1.25
24	A"	645	623	3.68
25	A"	229	222	0.85
26	A"	110	106	3.49
27	A"	93	90	0.31

Atom	x (Å)	y (Å)	z (Å)
N1	1.128	-0.363	0.000
O2	0.000	0.601	0.000
O3	2.288	0.209	0.000
O4	0.849	-1.631	0.000
C5	-1.360	-0.072	0.000
C6	-2.355	1.122	0.000
H7	-1.440	-0.705	0.906
H8	-1.440	-0.705	-0.906
H9	-3.392	0.723	0.000
H10	-2.214	1.749	0.902
H11	-2.214	1.749	-0.902

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4836	1.2933	1.2981	2.5048	3.7863	2.7446	2.7446	4.6490	4.0547	4.0547
O2	1.4836		2.3213	2.3879	1.5177	2.4120	2.1447	2.1447	3.3946	2.6519	2.6519
O3	1.2933	2.3213		2.3353	3.6588	4.7319	3.9439	3.9439	5.7036	4.8426	4.8426
O4	1.2981	2.3879	2.3353		2.7037	4.2245	2.6308	2.6308	4.8512	4.6497	4.6497
C5	2.5048	1.5177	3.6588	2.7037		1.5547	1.1076	1.1076	2.1826	2.2048	2.2048
C6	3.7863	2.4120	4.7319	4.2245	1.5547		2.2348	2.2348	1.1114	1.1079	1.1079
H7	2.7446	2.1447	3.9439	2.6308	1.1076	2.2348		1.8121	2.5828	2.5727	3.1447
H8	2.7446	2.1447	3.9439	2.6308	1.1076	2.2348	1.8121		2.5828	3.1447	2.5727
H9	4.6490	3.3946	5.7036	4.8512	2.1826	1.1114	2.5828	2.5828		1.8044	1.8044
H10	4.0547	2.6519	4.8426	4.6497	2.2048	1.1079	2.5727	3.1447	1.8044		1.8047
H11	4.0547	2.6519	4.8426	4.6497	2.2048	1.1079	3.1447	2.5727	1.8044	1.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.141	O2	N1	O3	113.246
O2	N1	O4	118.128	O2	C5	C6	103.450
O2	C5	H7	108.547	O2	C5	H8	108.547
O3	N1	O4	128.626	C5	C6	H9	108.766
C5	C6	H10	110.683	C5	C6	H11	110.683
C6	C5	H7	113.087	C6	C5	H8	113.087
H7	C5	H8	109.771	H9	C6	H10	108.798
H9	C6	H11	108.798	H10	C6	H11	109.070

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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