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	hartrees
Energy at 0K	-356.242311
Energy at 298.15K	-356.249846
HF Energy	-355.452951
Nuclear repulsion energy	239.457365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3120	3025
2	A'	3060	2967
3	A'	3049	2957
4	A'	1594	1546
5	A'	1578	1531
6	A'	1511	1465
7	A'	1475	1431
8	A'	1402	1360
9	A'	1146	1111
10	A'	1023	992
11	A'	985	956
12	A'	893	866
13	A'	736	714
14	A'	619	601
15	A'	474	459
16	A'	347	337
17	A'	213	207
18	A"	3136	3041
19	A"	3103	3009
20	A"	1567	1520
21	A"	1315	1275
22	A"	1193	1157
23	A"	864	838
24	A"	615	596
25	A"	252	244
26	A"	116	113
27	A"	87	84

Atom	x (Å)	y (Å)	z (Å)
N1	1.139	-0.376	0.000
O2	0.000	0.669	0.000
O3	2.310	0.165	0.000
O4	0.771	-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	-3.367	0.659	0.000
H10	-2.226	1.710	0.893
H11	-2.226	1.710	-0.893

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5458	1.2898	1.2948	2.4729	3.7864	2.7054	2.7054	4.6230	4.0584	4.0584
O2	1.5458		2.3640	2.4132	1.4984	2.3907	2.1399	2.1399	3.3668	2.6144	2.6144
O3	1.2898	2.3640		2.3547	3.6290	4.7538	3.9054	3.9054	5.6979	4.8740	4.8740
O4	1.2948	2.4132	2.3547		2.6058	4.1319	2.5229	2.5229	4.7227	4.5663	4.5663
C5	2.4729	1.4984	3.6290	2.6058		1.5428	1.0968	1.0968	2.1738	2.1767	2.1767
C6	3.7864	2.3907	4.7538	4.1319	1.5428		2.2017	2.2017	1.0988	1.0968	1.0968
H7	2.7054	2.1399	3.9054	2.5229	1.0968	2.2017		1.7859	2.5466	2.5340	3.0999
H8	2.7054	2.1399	3.9054	2.5229	1.0968	2.2017	1.7859		2.5466	3.0999	2.5340
H9	4.6230	3.3668	5.6979	4.7227	2.1738	1.0988	2.5466	2.5466		1.7895	1.7895
H10	4.0584	2.6144	4.8740	4.5663	2.1767	1.0968	2.5340	3.0999	1.7895		1.7851
H11	4.0584	2.6144	4.8740	4.5663	2.1767	1.0968	3.0999	2.5340	1.7895	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	108.637	O2	N1	O3	112.646
O2	N1	O4	116.046	O2	C5	C6	103.635
O2	C5	H7	110.126	O2	C5	H8	110.126
O3	N1	O4	131.308	C5	C6	H9	109.611
C5	C6	H10	109.954	C5	C6	H11	109.954
C6	C5	H7	111.929	C6	C5	H8	111.929
H7	C5	H8	109.003	H9	C6	H10	109.183
H9	C6	H11	109.183	H10	C6	H11	108.935

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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