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	hartrees
Energy at 0K	-354.426018
Energy at 298.15K	-354.433221
HF Energy	-354.426018
Nuclear repulsion energy	240.901879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3127	0.10
2	A'	3367	2974	0.06
3	A'	3333	2943	2.29
4	A'	1736	1533	39.13
5	A'	1692	1494	4.83
6	A'	1661	1467	8.30
7	A'	1575	1391	1.75
8	A'	1466	1294	7.85
9	A'	1315	1162	154.50
10	A'	1248	1102	17.07
11	A'	1152	1017	10.64
12	A'	1016	897	12.22
13	A'	921	813	62.92
14	A'	619	547	3.18
15	A'	486	430	1.05
16	A'	359	317	1.20
17	A'	213	188	0.28
18	A"	3545	3131	0.01
19	A"	3439	3037	2.39
20	A"	1678	1482	4.71
21	A"	1356	1197	0.03
22	A"	1227	1083	5.64
23	A"	875	772	1.89
24	A"	571	504	4.80
25	A"	218	193	0.23
26	A"	119	105	0.62
27	A"	57	51	0.09

Atom	x (Å)	y (Å)	z (Å)
N1	1.125	-0.333	0.000
O2	0.000	0.675	0.000
O3	2.286	0.237	0.000
O4	0.811	-1.590	0.000
C5	-1.271	-0.075	0.000
C6	-2.390	0.987	0.000
H7	-1.340	-0.724	0.897
H8	-1.340	-0.724	-0.897
H9	-3.367	0.486	0.000
H10	-2.319	1.622	0.893
H11	-2.319	1.622	-0.893

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.5112	1.2929	1.2956	2.4101	3.7557	2.6520	2.6520	4.5670	4.0601	4.0601
O2	1.5112		2.3276	2.4062	1.4757	2.4107	2.1346	2.1346	3.3727	2.6592	2.6592
O3	1.2929	2.3276		2.3480	3.5703	4.7363	3.8564	3.8564	5.6589	4.8910	4.8910
O4	1.2956	2.4062	2.3480		2.5747	4.1099	2.4858	2.4858	4.6658	4.5729	4.5729
C5	2.4101	1.4757	3.5703	2.5747		1.5433	1.1091	1.1091	2.1705	2.1852	2.1852
C6	3.7557	2.4107	4.7363	4.1099	1.5433		2.1992	2.1992	1.0979	1.0976	1.0976
H7	2.6520	2.1346	3.8564	2.4858	1.1091	2.1992		1.7933	2.5260	2.5421	3.1087
H8	2.6520	2.1346	3.8564	2.4858	1.1091	2.1992	1.7933		2.5260	3.1087	2.5421
H9	4.5670	3.3727	5.6589	4.6658	2.1705	1.0979	2.5260	2.5260		1.7848	1.7848
H10	4.0601	2.6592	4.8910	4.5729	2.1852	1.0976	2.5421	3.1087	1.7848		1.7853
H11	4.0601	2.6592	4.8910	4.5729	2.1852	1.0976	3.1087	2.5421	1.7848	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	107.580	O2	N1	O3	111.980
O2	N1	O4	117.818	O2	C5	C6	105.958
O2	C5	H7	110.546	O2	C5	H8	110.546
O3	N1	O4	130.203	C5	C6	H9	109.368
C5	C6	H10	110.534	C5	C6	H11	110.534
C6	C5	H7	110.960	C6	C5	H8	110.960
H7	C5	H8	107.896	H9	C6	H10	108.765
H9	C6	H11	108.765	H10	C6	H11	108.833

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

using model chemistry: HSEh1PBE/STO-3G

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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Number	Element	Mulliken
1	N	0.156
2	O	-0.095
3	O	-0.108
4	O	-0.123
5	C	-0.059
6	C	-0.236
7	H	0.093
8	H	0.093
9	H	0.092
10	H	0.093
11	H	0.093

	x	y	z	Total
	-2.426	0.101	0.000	2.428
CHELPG
AIM
ESP

	x	y	z
x	5.512	-0.116	0.000
y	-0.116	3.711	0.000
z	0.000	0.000	1.939

<r²>	186.383
(<r²>)^1/2	13.652

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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