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	hartrees
Energy at 0K	-359.204349
Energy at 298.15K	-359.212182
HF Energy	-359.204349
Nuclear repulsion energy	248.164435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3178	9.33
2	A'	3129	3129	3.82
3	A'	3092	3092	7.35
4	A'	1657	1657	336.80
5	A'	1561	1561	6.19
6	A'	1544	1544	10.73
7	A'	1469	1469	12.35
8	A'	1432	1432	4.73
9	A'	1298	1298	226.26
10	A'	1166	1166	15.08
11	A'	1067	1067	64.87
12	A'	954	954	110.57
13	A'	877	877	106.75
14	A'	713	713	4.91
15	A'	561	561	4.15
16	A'	382	382	3.47
17	A'	225	225	0.48
18	A"	3199	3199	19.85
19	A"	3176	3176	0.03
20	A"	1528	1528	10.85
21	A"	1311	1311	0.23
22	A"	1202	1202	7.78
23	A"	849	849	1.25
24	A"	748	748	17.93
25	A"	231	231	1.02
26	A"	118	118	2.07
27	A"	88	88	0.39

Atom	x (Å)	y (Å)	z (Å)
N1	1.107	-0.317	0.000
O2	0.000	0.566	0.000
O3	2.191	0.254	0.000
O4	0.870	-1.533	0.000
C5	-1.312	-0.109	0.000
C6	-2.315	1.024	0.000
H7	-1.379	-0.739	0.889
H8	-1.379	-0.739	-0.889
H9	-3.328	0.614	0.000
H10	-2.192	1.649	0.887
H11	-2.192	1.649	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4162	1.2252	1.2388	2.4275	3.6757	2.6732	2.6732	4.5317	3.9412	3.9412
O2	1.4162		2.2132	2.2725	1.4756	2.3603	2.0964	2.0964	3.3286	2.6005	2.6005
O3	1.2252	2.2132		2.2219	3.5216	4.5719	3.8102	3.8102	5.5310	4.6845	4.6845
O4	1.2388	2.2725	2.2219		2.6051	4.0847	2.5449	2.5449	4.7152	4.5038	4.5038
C5	2.4275	1.4756	3.5216	2.6051		1.5138	1.0914	1.0914	2.1422	2.1565	2.1565
C6	3.6757	2.3603	4.5719	4.0847	1.5138		2.1854	2.1854	1.0927	1.0914	1.0914
H7	2.6732	2.0964	3.8102	2.5449	1.0914	2.1854		1.7776	2.5340	2.5222	3.0845
H8	2.6732	2.0964	3.8102	2.5449	1.0914	2.1854	1.7776		2.5340	3.0845	2.5222
H9	4.5317	3.3286	5.5310	4.7152	2.1422	1.0927	2.5340	2.5340		1.7741	1.7741
H10	3.9412	2.6005	4.6845	4.5038	2.1565	1.0914	2.5222	3.0845	1.7741		1.7733
H11	3.9412	2.6005	4.6845	4.5038	2.1565	1.0914	3.0845	2.5222	1.7741	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	114.151	O2	N1	O3	113.646
O2	N1	O4	117.572	O2	C5	C6	104.277
O2	C5	H7	108.584	O2	C5	H8	108.584
O3	N1	O4	128.782	C5	C6	H9	109.478
C5	C6	H10	110.696	C5	C6	H11	110.696
C6	C5	H7	113.038	C6	C5	H8	113.038
H7	C5	H8	109.061	H9	C6	H10	108.631
H9	C6	H11	108.631	H10	C6	H11	108.655

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

using model chemistry: M06-2X/6-31G

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	0.466
2	O	-0.369
3	O	-0.244
4	O	-0.278
5	C	-0.058
6	C	-0.462
7	H	0.199
8	H	0.199
9	H	0.173
10	H	0.186
11	H	0.186

	x	y	z	Total
	-3.990	0.241	0.000	3.998
CHELPG
AIM
ESP

	x	y	z
x	7.892	0.044	0.000
y	0.044	6.075	0.000
z	0.000	0.000	3.819

<r²>	181.562
(<r²>)^1/2	13.474

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

using model chemistry: M06-2X/6-31G

States and conformations

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