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	hartrees
Energy at 0K	-358.561084
Energy at 298.15K	-358.568918
HF Energy	-357.496788
Nuclear repulsion energy	248.489983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3159	3016
2	A'	3084	2945
3	A'	3076	2937
4	A'	1743	1664
5	A'	1563	1492
6	A'	1542	1472
7	A'	1463	1397
8	A'	1415	1351
9	A'	1275	1217
10	A'	1165	1112
11	A'	1066	1017
12	A'	937	894
13	A'	827	790
14	A'	689	658
15	A'	551	526
16	A'	374	357
17	A'	228	217
18	A"	3173	3030
19	A"	3138	2996
20	A"	1531	1462
21	A"	1305	1246
22	A"	1206	1151
23	A"	843	804
24	A"	732	699
25	A"	262	250
26	A"	127	121
27	A"	96	91

Atom	x (Å)	y (Å)	z (Å)
N1	1.107	-0.330	0.000
O2	0.000	0.581	0.000
O3	2.187	0.249	0.000
O4	0.850	-1.535	0.000
C5	-1.286	-0.098	0.000
C6	-2.313	1.020	0.000
H7	-1.362	-0.733	0.891
H8	-1.362	-0.733	-0.891
H9	-3.322	0.587	0.000
H10	-2.202	1.648	0.891
H11	-2.202	1.648	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4336	1.2253	1.2319	2.4039	3.6771	2.6559	2.6559	4.5226	3.9569	3.9569
O2	1.4336		2.2118	2.2806	1.4540	2.3546	2.0920	2.0920	3.3217	2.6042	2.6042
O3	1.2253	2.2118		2.2289	3.4898	4.5656	3.7887	3.7887	5.5188	4.6919	4.6919
O4	1.2319	2.2806	2.2289		2.5747	4.0668	2.5169	2.5169	4.6811	4.4996	4.4996
C5	2.4039	1.4540	3.4898	2.5747		1.5185	1.0968	1.0968	2.1482	2.1639	2.1639
C6	3.6771	2.3546	4.5656	4.0668	1.5185		2.1843	2.1843	1.0974	1.0956	1.0956
H7	2.6559	2.0920	3.7887	2.5169	1.0968	2.1843		1.7822	2.5250	2.5249	3.0903
H8	2.6559	2.0920	3.7887	2.5169	1.0968	2.1843	1.7822		2.5250	3.0903	2.5249
H9	4.5226	3.3217	5.5188	4.6811	2.1482	1.0974	2.5250	2.5250		1.7812	1.7812
H10	3.9569	2.6042	4.6919	4.4996	2.1639	1.0956	2.5249	3.0903	1.7812		1.7814
H11	3.9569	2.6042	4.6919	4.4996	2.1639	1.0956	3.0903	2.5249	1.7812	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.706	O2	N1	O3	112.340
O2	N1	O4	117.449	O2	C5	C6	104.750
O2	C5	H7	109.395	O2	C5	H8	109.395
O3	N1	O4	130.211	C5	C6	H9	109.358
C5	C6	H10	110.702	C5	C6	H11	110.702
C6	C5	H7	112.266	C6	C5	H8	112.266
H7	C5	H8	108.668	H9	C6	H10	108.626
H9	C6	H11	108.626	H10	C6	H11	108.773

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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