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	hartrees
Energy at 0K	-358.717818
Energy at 298.15K	-358.725719
HF Energy	-357.591201
Nuclear repulsion energy	250.448422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3119	3003
2	A'	3062	2948
3	A'	3040	2927
4	A'	1728	1663
5	A'	1546	1489
6	A'	1519	1462
7	A'	1449	1395
8	A'	1415	1362
9	A'	1324	1274
10	A'	1159	1115
11	A'	1064	1025
12	A'	942	907
13	A'	876	843
14	A'	713	686
15	A'	570	549
16	A'	382	368
17	A'	232	224
18	A"	3134	3017
19	A"	3110	2995
20	A"	1506	1450
21	A"	1310	1261
22	A"	1199	1154
23	A"	831	800
24	A"	756	728
25	A"	255	246
26	A"	118	114
27	A"	100	96

Atom	x (Å)	y (Å)	z (Å)
N1	1.106	-0.315	0.000
O2	0.000	0.571	0.000
O3	2.162	0.264	0.000
O4	0.873	-1.507	0.000
C5	-1.278	-0.113	0.000
C6	-2.318	0.995	0.000
H7	-1.349	-0.747	0.891
H8	-1.349	-0.747	-0.891
H9	-3.322	0.551	0.000
H10	-2.215	1.624	0.891
H11	-2.215	1.624	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4175	1.2042	1.2143	2.3931	3.6664	2.6476	2.6476	4.5119	3.9481	3.9481
O2	1.4175		2.1838	2.2541	1.4499	2.3566	2.0861	2.0861	3.3217	2.6095	2.6095
O3	1.2042	2.1838		2.1900	3.4610	4.5395	3.7609	3.7609	5.4913	4.6696	4.6696
O4	1.2143	2.2541	2.1900		2.5638	4.0553	2.5123	2.5123	4.6728	4.4877	4.4877
C5	2.3931	1.4499	3.4610	2.5638		1.5195	1.0961	1.0961	2.1487	2.1658	2.1658
C6	3.6664	2.3566	4.5395	4.0553	1.5195		2.1835	2.1835	1.0972	1.0957	1.0957
H7	2.6476	2.0861	3.7609	2.5123	1.0961	2.1835		1.7826	2.5242	2.5249	3.0904
H8	2.6476	2.0861	3.7609	2.5123	1.0961	2.1835	1.7826		2.5242	3.0904	2.5249
H9	4.5119	3.3217	5.4913	4.6728	2.1487	1.0972	2.5242	2.5242		1.7804	1.7804
H10	3.9481	2.6095	4.6696	4.4877	2.1658	1.0957	2.5249	3.0904	1.7804		1.7812
H11	3.9481	2.6095	4.6696	4.4877	2.1658	1.0957	3.0904	2.5249	1.7804	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.144	O2	N1	O3	112.564
O2	N1	O4	117.646	O2	C5	C6	105.027
O2	C5	H7	109.261	O2	C5	H8	109.261
O3	N1	O4	129.790	C5	C6	H9	109.339
C5	C6	H10	110.779	C5	C6	H11	110.779
C6	C5	H7	112.184	C6	C5	H8	112.184
H7	C5	H8	108.816	H9	C6	H10	108.570
H9	C6	H11	108.570	H10	C6	H11	108.746

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

using model chemistry: QCISD(T)/6-311G*

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)/6-311G*

States and conformations

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