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	hartrees
Energy at 0K	-358.641854
Energy at 298.15K	-358.649749
HF Energy	-357.532823
Nuclear repulsion energy	249.869076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3028
2	A'	3076	2950
3	A'	3065	2939
4	A'	1744	1672
5	A'	1517	1455
6	A'	1492	1431
7	A'	1426	1367
8	A'	1389	1332
9	A'	1321	1267
10	A'	1146	1099
11	A'	1071	1027
12	A'	932	894
13	A'	856	821
14	A'	699	670
15	A'	562	539
16	A'	377	362
17	A'	229	220
18	A"	3166	3037
19	A"	3132	3003
20	A"	1476	1416
21	A"	1284	1231
22	A"	1179	1131
23	A"	824	790
24	A"	759	727
25	A"	260	249
26	A"	123	118
27	A"	101	97

Atom	x (Å)	y (Å)	z (Å)
N1	1.109	-0.319	0.000
O2	0.000	0.577	0.000
O3	2.168	0.260	0.000
O4	0.866	-1.511	0.000
C5	-1.275	-0.110	0.000
C6	-2.321	0.996	0.000
H7	-1.351	-0.751	0.896
H8	-1.351	-0.751	-0.896
H9	-3.329	0.546	0.000
H10	-2.217	1.631	0.897
H11	-2.217	1.631	-0.897

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4265	1.2067	1.2161	2.3936	3.6740	2.6536	2.6536	4.5223	3.9586	3.9586
O2	1.4265		2.1913	2.2608	1.4484	2.3585	2.0955	2.0955	3.3295	2.6131	2.6131
O3	1.2067	2.1913		2.1976	3.4630	4.5492	3.7691	3.7691	5.5050	4.6811	4.6811
O4	1.2161	2.2608	2.1976		2.5591	4.0550	2.5092	2.5092	4.6725	4.4922	4.4922
C5	2.3936	1.4484	3.4630	2.5591		1.5220	1.1044	1.1044	2.1563	2.1726	2.1726
C6	3.6740	2.3585	4.5492	4.0550	1.5220		2.1898	2.1898	1.1043	1.1035	1.1035
H7	2.6536	2.0955	3.7691	2.5092	1.1044	2.1898		1.7922	2.5294	2.5341	3.1041
H8	2.6536	2.0955	3.7691	2.5092	1.1044	2.1898	1.7922		2.5294	3.1041	2.5341
H9	4.5223	3.3295	5.5050	4.6725	2.1563	1.1043	2.5294	2.5294		1.7943	1.7943
H10	3.9586	2.6131	4.6811	4.4922	2.1726	1.1035	2.5341	3.1041	1.7943		1.7932
H11	3.9586	2.6131	4.6811	4.4922	2.1726	1.1035	3.1041	2.5341	1.7943	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.736	O2	N1	O3	112.386
O2	N1	O4	117.416	O2	C5	C6	105.098
O2	C5	H7	109.614	O2	C5	H8	109.614
O3	N1	O4	130.198	C5	C6	H9	109.345
C5	C6	H10	110.671	C5	C6	H11	110.671
C6	C5	H7	111.995	C6	C5	H8	111.995
H7	C5	H8	108.468	H9	C6	H10	108.714
H9	C6	H11	108.714	H10	C6	H11	108.678

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

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