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	hartrees
Energy at 0K	-358.846735
Energy at 298.15K	-358.854692
HF Energy	-357.633873
Nuclear repulsion energy	251.996796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2996	18.11
2	A'	3111	2947	9.93
3	A'	3082	2920	12.44
4	A'	1731	1640	511.04
5	A'	1558	1476	3.71
6	A'	1530	1449	4.84
7	A'	1470	1393	2.04
8	A'	1437	1361	13.53
9	A'	1355	1284	264.33
10	A'	1174	1112	15.04
11	A'	1079	1022	84.17
12	A'	971	920	115.34
13	A'	918	870	113.07
14	A'	742	703	8.21
15	A'	589	558	3.09
16	A'	389	369	1.28
17	A'	235	223	0.43
18	A"	3180	3013	32.73
19	A"	3158	2992	0.23
20	A"	1508	1429	5.65
21	A"	1319	1250	0.92
22	A"	1214	1150	3.86
23	A"	849	804	0.01
24	A"	758	719	12.87
25	A"	250	236	0.50
26	A"	111	105	0.69
27	A"	94	89	1.08

Atom	x (Å)	y (Å)	z (Å)
N1	1.101	-0.302	0.000
O2	0.000	0.559	0.000
O3	2.148	0.277	0.000
O4	0.885	-1.490	0.000
C5	-1.274	-0.123	0.000
C6	-2.315	0.976	0.000
H7	-1.345	-0.751	0.887
H8	-1.345	-0.751	-0.887
H9	-3.307	0.522	0.000
H10	-2.218	1.601	0.887
H11	-2.218	1.601	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3979	1.1970	1.2067	2.3818	3.6470	2.6402	2.6402	4.4840	3.9274	3.9274
O2	1.3979		2.1665	2.2319	1.4454	2.3521	2.0766	2.0766	3.3070	2.6061	2.6061
O3	1.1970	2.1665		2.1719	3.4456	4.5174	3.7479	3.7479	5.4603	4.6479	4.6479
O4	1.2067	2.2319	2.1719		2.5555	4.0395	2.5114	2.5114	4.6495	4.4685	4.4685
C5	2.3818	1.4454	3.4456	2.5555		1.5133	1.0889	1.0889	2.1324	2.1560	2.1560
C6	3.6470	2.3521	4.5174	4.0395	1.5133		2.1696	2.1696	1.0906	1.0893	1.0893
H7	2.6402	2.0766	3.7479	2.5114	1.0889	2.1696		1.7737	2.5008	2.5082	3.0720
H8	2.6402	2.0766	3.7479	2.5114	1.0889	2.1696	1.7737		2.5008	3.0720	2.5082
H9	4.4840	3.3070	5.4603	4.6495	2.1324	1.0906	2.5008	2.5008		1.7705	1.7705
H10	3.9274	2.6061	4.6479	4.4685	2.1560	1.0893	2.5082	3.0720	1.7705		1.7737
H11	3.9274	2.6061	4.6479	4.4685	2.1560	1.0893	3.0720	2.5082	1.7705	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.782	O2	N1	O3	112.984
O2	N1	O4	117.756	O2	C5	C6	105.288
O2	C5	H7	109.248	O2	C5	H8	109.248
O3	N1	O4	129.261	C5	C6	H9	108.873
C5	C6	H10	110.824	C5	C6	H11	110.824
C6	C5	H7	111.942	C6	C5	H8	111.942
H7	C5	H8	109.068	H9	C6	H10	108.626
H9	C6	H11	108.626	H10	C6	H11	109.011

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

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

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