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	hartrees
Energy at 0K	-356.252306
Energy at 298.15K	-356.259843
HF Energy	-355.453037
Nuclear repulsion energy	239.493840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3120	3054
2	A'	3060	2995
3	A'	3049	2985
4	A'	1594	1560
5	A'	1578	1545
6	A'	1512	1479
7	A'	1476	1445
8	A'	1402	1373
9	A'	1146	1122
10	A'	1023	1001
11	A'	986	965
12	A'	894	875
13	A'	736	720
14	A'	620	606
15	A'	474	464
16	A'	348	340
17	A'	213	209
18	A"	3136	3069
19	A"	3103	3037
20	A"	1567	1534
21	A"	1315	1287
22	A"	1194	1168
23	A"	864	846
24	A"	615	602
25	A"	252	247
26	A"	117	114
27	A"	87	85

Atom	x (Å)	y (Å)	z (Å)
N1	1.138	-0.376	0.000
O2	0.000	0.669	0.000
O3	2.309	0.165	0.000
O4	0.770	-1.618	0.000
C5	-1.313	-0.053	0.000
C6	-2.354	1.085	0.000
H7	-1.396	-0.684	0.893
H8	-1.396	-0.684	-0.893
H9	-3.366	0.659	0.000
H10	-2.226	1.710	0.892
H11	-2.226	1.710	-0.892

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5455	1.2897	1.2947	2.4723	3.7857	2.7049	2.7049	4.6222	4.0576	4.0576
O2	1.5455		2.3638	2.4128	1.4980	2.3902	2.1396	2.1396	3.3663	2.6139	2.6139
O3	1.2897	2.3638		2.3546	3.6285	4.7530	3.9049	3.9049	5.6971	4.8733	4.8733
O4	1.2947	2.4128	2.3546		2.6052	4.1311	2.5223	2.5223	4.7219	4.5654	4.5654
C5	2.4723	1.4980	3.6285	2.6052		1.5426	1.0967	1.0967	2.1736	2.1764	2.1764
C6	3.7857	2.3902	4.7530	4.1311	1.5426		2.2013	2.2013	1.0986	1.0966	1.0966
H7	2.7049	2.1396	3.9049	2.5223	1.0967	2.2013		1.7856	2.5463	2.5337	3.0995
H8	2.7049	2.1396	3.9049	2.5223	1.0967	2.2013	1.7856		2.5463	3.0995	2.5337
H9	4.6222	3.3663	5.6971	4.7219	2.1736	1.0986	2.5463	2.5463		1.7892	1.7892
H10	4.0576	2.6139	4.8733	4.5654	2.1764	1.0966	2.5337	3.0995	1.7892		1.7848
H11	4.0576	2.6139	4.8733	4.5654	2.1764	1.0966	3.0995	2.5337	1.7892	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	108.637	O2	N1	O3	112.655
O2	N1	O4	116.040	O2	C5	C6	103.635
O2	C5	H7	110.131	O2	C5	H8	110.131
O3	N1	O4	131.305	C5	C6	H9	109.621
C5	C6	H10	109.956	C5	C6	H11	109.956
C6	C5	H7	111.929	C6	C5	H8	111.929
H7	C5	H8	108.995	H9	C6	H10	109.179
H9	C6	H11	109.179	H10	C6	H11	108.929

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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