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	hartrees
Energy at 0K	-357.719917
Energy at 298.15K	-357.727767
HF Energy	-357.719917
Nuclear repulsion energy	252.221039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3043	4.91
2	A'	3007	2951	6.53
3	A'	2984	2928	8.98
4	A'	1799	1766	310.69
5	A'	1464	1437	3.90
6	A'	1441	1414	5.78
7	A'	1392	1366	91.32
8	A'	1358	1333	99.00
9	A'	1295	1271	74.58
10	A'	1131	1110	22.64
11	A'	1072	1052	42.40
12	A'	919	902	46.32
13	A'	863	847	195.92
14	A'	708	695	17.59
15	A'	570	559	0.14
16	A'	382	375	1.11
17	A'	227	223	0.46
18	A"	3101	3043	7.94
19	A"	3031	2974	9.65
20	A"	1427	1400	10.16
21	A"	1236	1213	0.48
22	A"	1137	1115	4.75
23	A"	792	777	0.66
24	A"	759	745	15.22
25	A"	260	255	0.36
26	A"	148	145	0.74
27	A"	77	76	0.26

Atom	x (Å)	y (Å)	z (Å)
N1	1.097	-0.306	0.000
O2	0.000	0.579	0.000
O3	2.157	0.264	0.000
O4	0.840	-1.491	0.000
C5	-1.250	-0.105	0.000
C6	-2.301	0.963	0.000
H7	-1.310	-0.759	0.890
H8	-1.310	-0.759	-0.890
H9	-3.300	0.500	0.000
H10	-2.217	1.602	0.893
H11	-2.217	1.602	-0.893

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4088	1.2037	1.2128	2.3551	3.6264	2.6054	2.6054	4.4698	3.9262	3.9262
O2	1.4088		2.1799	2.2338	1.4246	2.3324	2.0728	2.0728	3.3007	2.5996	2.5996
O3	1.2037	2.1799		2.1941	3.4269	4.5121	3.7225	3.7225	5.4620	4.6602	4.6602
O4	1.2128	2.2338	2.1941		2.5079	3.9859	2.4392	2.4392	4.5942	4.4396	4.4396
C5	2.3551	1.4246	3.4269	2.5079		1.4983	1.1058	1.1058	2.1375	2.1555	2.1555
C6	3.6264	2.3324	4.5121	3.9859	1.4983		2.1769	2.1769	1.1012	1.1011	1.1011
H7	2.6054	2.0728	3.7225	2.4392	1.1058	2.1769		1.7791	2.5176	2.5295	3.0943
H8	2.6054	2.0728	3.7225	2.4392	1.1058	2.1769	1.7791		2.5176	3.0943	2.5295
H9	4.4698	3.3007	5.4620	4.5942	2.1375	1.1012	2.5176	2.5176		1.7844	1.7844
H10	3.9262	2.5996	4.6602	4.4396	2.1555	1.1011	2.5295	3.0943	1.7844		1.7856
H11	3.9262	2.5996	4.6602	4.4396	2.1555	1.1011	3.0943	2.5295	1.7844	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.439	O2	N1	O3	112.876
O2	N1	O4	116.677	O2	C5	C6	105.850
O2	C5	H7	109.356	O2	C5	H8	109.356
O3	N1	O4	130.447	C5	C6	H9	109.688
C5	C6	H10	111.120	C5	C6	H11	111.120
C6	C5	H7	112.564	C6	C5	H8	112.564
H7	C5	H8	107.112	H9	C6	H10	108.236
H9	C6	H11	108.236	H10	C6	H11	108.348

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

using model chemistry: LSDA/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	0.652
2	O	-0.320
3	O	-0.322
4	O	-0.327
5	C	-0.055
6	C	-0.461
7	H	0.165
8	H	0.165
9	H	0.161
10	H	0.171
11	H	0.171

	x	y	z	Total
	-3.220	0.255	0.000	3.230
CHELPG
AIM
ESP

	x	y	z
x	8.440	-0.254	0.000
y	-0.254	6.212	0.000
z	0.000	0.000	4.355

<r²>	175.428
(<r²>)^1/2	13.245

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

using model chemistry: LSDA/6-31G**

States and conformations

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