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	hartrees
Energy at 0K	-359.251189
Energy at 298.15K	-359.259157
HF Energy	-359.251189
Nuclear repulsion energy	252.728962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3023	14.55
2	A'	3075	2954	11.52
3	A'	3066	2945	11.29
4	A'	1801	1730	433.67
5	A'	1521	1461	2.37
6	A'	1496	1436	6.21
7	A'	1435	1378	33.34
8	A'	1406	1350	102.71
9	A'	1356	1302	163.53
10	A'	1155	1109	15.41
11	A'	1065	1023	64.18
12	A'	949	911	123.63
13	A'	910	874	164.86
14	A'	739	710	21.13
15	A'	590	567	1.08
16	A'	386	370	1.01
17	A'	230	221	0.39
18	A"	3156	3031	25.18
19	A"	3123	2999	6.14
20	A"	1479	1421	8.84
21	A"	1299	1248	0.88
22	A"	1180	1133	4.93
23	A"	826	794	0.07
24	A"	798	766	17.22
25	A"	259	248	0.49
26	A"	135	130	1.04
27	A"	84	80	0.47

Atom	x (Å)	y (Å)	z (Å)
N1	1.102	-0.300	0.000
O2	0.000	0.554	0.000
O3	2.141	0.282	0.000
O4	0.885	-1.482	0.000
C5	-1.270	-0.122	0.000
C6	-2.312	0.968	0.000
H7	-1.339	-0.758	0.886
H8	-1.339	-0.758	-0.886
H9	-3.308	0.517	0.000
H10	-2.219	1.598	0.887
H11	-2.219	1.598	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3940	1.1912	1.2008	2.3785	3.6418	2.6361	2.6361	4.4842	3.9264	3.9264
O2	1.3940		2.1580	2.2196	1.4392	2.3490	2.0733	2.0733	3.3077	2.6078	2.6078
O3	1.1912	2.1580		2.1647	3.4350	4.5056	3.7380	3.7380	5.4534	4.6397	4.6397
O4	1.2008	2.2196	2.1647		2.5481	4.0278	2.5007	2.5007	4.6447	4.4616	4.4616
C5	2.3785	1.4392	3.4350	2.5481		1.5082	1.0928	1.0928	2.1353	2.1555	2.1555
C6	3.6418	2.3490	4.5056	4.0278	1.5082		2.1709	2.1709	1.0926	1.0916	1.0916
H7	2.6361	2.0733	3.7380	2.5007	1.0928	2.1709		1.7725	2.5078	2.5153	3.0773
H8	2.6361	2.0733	3.7380	2.5007	1.0928	2.1709	1.7725		2.5078	3.0773	2.5153
H9	4.4842	3.3077	5.4534	4.6447	2.1353	1.0926	2.5078	2.5078		1.7716	1.7716
H10	3.9264	2.6078	4.6397	4.4616	2.1555	1.0916	2.5153	3.0773	1.7716		1.7731
H11	3.9264	2.6078	4.6397	4.4616	2.1555	1.0916	3.0773	2.5153	1.7716	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	114.171	O2	N1	O3	112.945
O2	N1	O4	117.412	O2	C5	C6	105.666
O2	C5	H7	109.176	O2	C5	H8	109.176
O3	N1	O4	129.643	C5	C6	H9	109.333
C5	C6	H10	111.000	C5	C6	H11	111.000
C6	C5	H7	112.174	C6	C5	H8	112.174
H7	C5	H8	108.391	H9	C6	H10	108.411
H9	C6	H11	108.411	H10	C6	H11	108.612

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	N	0.477
2	O	-0.275
3	O	-0.251
4	O	-0.262
5	C	-0.055
6	C	-0.362
7	H	0.152
8	H	0.152
9	H	0.135
10	H	0.144
11	H	0.144

	x	y	z	Total
	-3.404	0.200	0.000	3.409
CHELPG
AIM
ESP

	x	y	z
x	8.244	-0.124	0.000
y	-0.124	6.335	0.000
z	0.000	0.000	4.329

<r²>	176.348
(<r²>)^1/2	13.280

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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