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	hartrees
Energy at 0K	-352.836451
Energy at 298.15K	-352.844034
HF Energy	-352.836451
Nuclear repulsion energy	245.637302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3763	3073	0.13
2	A'	3584	2927	0.72
3	A'	3580	2923	0.07
4	A'	1825	1490	3.09
5	A'	1797	1467	11.03
6	A'	1781	1454	194.72
7	A'	1724	1408	12.84
8	A'	1628	1330	38.91
9	A'	1496	1222	123.72
10	A'	1378	1125	2.64
11	A'	1271	1038	6.72
12	A'	1135	927	6.34
13	A'	1040	849	13.14
14	A'	670	547	13.28
15	A'	535	437	8.68
16	A'	401	328	5.84
17	A'	238	194	0.32
18	A"	3766	3075	0.01
19	A"	3700	3021	0.42
20	A"	1809	1477	2.61
21	A"	1485	1212	0.48
22	A"	1346	1099	9.76
23	A"	952	778	0.15
24	A"	618	505	13.10
25	A"	230	187	0.33
26	A"	103	84	1.03
27	A"	98	80	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	1.098	-0.301	0.000
O2	0.000	0.620	0.000
O3	2.227	0.274	0.000
O4	0.854	-1.551	0.000
C5	-1.261	-0.105	0.000
C6	-2.366	0.967	0.000
H7	-1.330	-0.741	0.888
H8	-1.330	-0.741	-0.888
H9	-3.337	0.481	0.000
H10	-2.286	1.593	0.883
H11	-2.286	1.593	-0.883

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4322	1.2675	1.2735	2.3663	3.6885	2.6221	2.6221	4.5031	3.9770	3.9770
O2	1.4322		2.2539	2.3321	1.4541	2.3917	2.0999	2.0999	3.3401	2.6372	2.6372
O3	1.2675	2.2539		2.2838	3.5085	4.6455	3.8043	3.8043	5.5683	4.7846	4.7846
O4	1.2735	2.3321	2.2838		2.5615	4.0875	2.4925	2.4925	4.6574	4.5303	4.5303
C5	2.3663	1.4541	3.5085	2.5615		1.5399	1.0948	1.0948	2.1576	2.1715	2.1715
C6	3.6885	2.3917	4.6455	4.0875	1.5399		2.1866	2.1866	1.0858	1.0857	1.0857
H7	2.6221	2.0999	3.8043	2.4925	1.0948	2.1866		1.7764	2.5124	2.5227	3.0826
H8	2.6221	2.0999	3.8043	2.4925	1.0948	2.1866	1.7764		2.5124	3.0826	2.5227
H9	4.5031	3.3401	5.5683	4.6574	2.1576	1.0858	2.5124	2.5124		1.7669	1.7669
H10	3.9770	2.6372	4.7846	4.5303	2.1715	1.0857	2.5227	3.0826	1.7669		1.7668
H11	3.9770	2.6372	4.7846	4.5303	2.1715	1.0857	3.0826	2.5227	1.7669	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	110.136	O2	N1	O3	113.062
O2	N1	O4	118.945	O2	C5	C6	105.998
O2	C5	H7	110.143	O2	C5	H8	110.143
O3	N1	O4	127.992	C5	C6	H9	109.291
C5	C6	H10	110.396	C5	C6	H11	110.396
C6	C5	H7	111.053	C6	C5	H8	111.053
H7	C5	H8	108.447	H9	C6	H10	108.911
H9	C6	H11	108.911	H10	C6	H11	108.903

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

using model chemistry: HF/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	0.241
2	O	-0.131
3	O	-0.155
4	O	-0.186
5	C	0.013
6	C	-0.181
7	H	0.083
8	H	0.083
9	H	0.077
10	H	0.078
11	H	0.078

	x	y	z	Total
	-3.105	0.320	0.000	3.121
CHELPG
AIM
ESP

	x	y	z
x	4.976	0.311	0.000
y	0.311	3.766	0.000
z	0.000	0.000	1.918

<r²>	181.628
(<r²>)^1/2	13.477

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

using model chemistry: HF/STO-3G

States and conformations

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