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	hartrees
Energy at 0K	-358.931057
Energy at 298.15K	-358.939100
HF Energy	-357.651458
Nuclear repulsion energy	253.053609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	2967	15.16
2	A'	3103	2920	8.92
3	A'	3074	2893	10.60
4	A'	1760	1656	483.11
5	A'	1547	1456	2.47
6	A'	1520	1431	4.96
7	A'	1454	1369	5.19
8	A'	1425	1341	53.87
9	A'	1369	1288	225.27
10	A'	1169	1100	16.76
11	A'	1086	1022	94.14
12	A'	979	922	139.83
13	A'	923	869	70.11
14	A'	749	705	3.72
15	A'	594	559	3.56
16	A'	393	370	2.06
17	A'	236	223	0.41
18	A"	3167	2981	27.85
19	A"	3145	2960	0.02
20	A"	1506	1418	6.16
21	A"	1313	1236	0.97
22	A"	1202	1132	3.86
23	A"	838	788	0.46
24	A"	814	766	14.83
25	A"	255	240	0.49
26	A"	126	118	0.95
27	A"	105	98	0.42

Atom	x (Å)	y (Å)	z (Å)
N1	1.096	-0.287	0.000
O2	0.000	0.556	0.000
O3	2.137	0.298	0.000
O4	0.890	-1.473	0.000
C5	-1.264	-0.138	0.000
C6	-2.316	0.947	0.000
H7	-1.326	-0.769	0.884
H8	-1.326	-0.769	-0.884
H9	-3.304	0.488	0.000
H10	-2.226	1.575	0.885
H11	-2.226	1.575	-0.885

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3835	1.1941	1.2032	2.3652	3.6293	2.6234	2.6234	4.4686	3.9100	3.9100
O2	1.3835		2.1526	2.2158	1.4425	2.3491	2.0727	2.0727	3.3050	2.6027	2.6027
O3	1.1941	2.1526		2.1661	3.4290	4.5005	3.7300	3.7300	5.4446	4.6310	4.6310
O4	1.2032	2.2158	2.1661		2.5338	4.0172	2.4877	2.4877	4.6301	4.4474	4.4474
C5	2.3652	1.4425	3.4290	2.5338		1.5121	1.0877	1.0877	2.1343	2.1550	2.1550
C6	3.6293	2.3491	4.5005	4.0172	1.5121		2.1697	2.1697	1.0894	1.0885	1.0885
H7	2.6234	2.0727	3.7300	2.4877	1.0877	2.1697		1.7690	2.5051	2.5104	3.0712
H8	2.6234	2.0727	3.7300	2.4877	1.0877	2.1697	1.7690		2.5051	3.0712	2.5104
H9	4.4686	3.3050	5.4446	4.6301	2.1343	1.0894	2.5051	2.5051		1.7684	1.7684
H10	3.9100	2.6027	4.6310	4.4474	2.1550	1.0885	2.5104	3.0712	1.7684		1.7693
H11	3.9100	2.6027	4.6310	4.4474	2.1550	1.0885	3.0712	2.5104	1.7684	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.616	O2	N1	O3	113.044
O2	N1	O4	117.703	O2	C5	C6	105.299
O2	C5	H7	109.206	O2	C5	H8	109.206
O3	N1	O4	129.253	C5	C6	H9	109.175
C5	C6	H10	110.865	C5	C6	H11	110.865
C6	C5	H7	112.107	C6	C5	H8	112.107
H7	C5	H8	108.812	H9	C6	H10	108.575
H9	C6	H11	108.575	H10	C6	H11	108.724

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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