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	hartrees
Energy at 0K	-357.737544
Energy at 298.15K	-357.745365
HF Energy	-357.737544
Nuclear repulsion energy	251.881620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3091	3045	4.81
2	A'	3000	2955	8.15
3	A'	2985	2940	8.67
4	A'	1766	1739	383.35
5	A'	1451	1429	5.42
6	A'	1431	1410	7.96
7	A'	1379	1359	74.38
8	A'	1350	1330	130.12
9	A'	1293	1273	79.57
10	A'	1123	1106	15.32
11	A'	1062	1046	49.50
12	A'	913	899	46.67
13	A'	853	840	216.41
14	A'	705	694	21.73
15	A'	567	558	0.42
16	A'	377	372	0.72
17	A'	223	220	0.57
18	A"	3094	3047	8.21
19	A"	3035	2989	6.88
20	A"	1418	1396	13.06
21	A"	1233	1215	0.71
22	A"	1129	1112	4.65
23	A"	790	779	0.51
24	A"	755	744	11.50
25	A"	256	252	0.34
26	A"	143	140	0.99
27	A"	79	78	0.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.098	-0.309	0.000
O2	0.000	0.572	0.000
O3	2.160	0.261	0.000
O4	0.846	-1.496	0.000
C5	-1.259	-0.104	0.000
C6	-2.300	0.975	0.000
H7	-1.322	-0.753	0.893
H8	-1.322	-0.753	-0.893
H9	-3.302	0.518	0.000
H10	-2.213	1.613	0.894
H11	-2.213	1.613	-0.894

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4069	1.2049	1.2138	2.3658	3.6318	2.6168	2.6168	4.4768	3.9305	3.9305
O2	1.4069		2.1817	2.2338	1.4290	2.3349	2.0733	2.0733	3.3027	2.6038	2.6038
O3	1.2049	2.1817		2.1936	3.4383	4.5161	3.7342	3.7342	5.4678	4.6629	4.6629
O4	1.2138	2.2338	2.1936		2.5238	4.0001	2.4592	2.4592	4.6110	4.4519	4.4519
C5	2.3658	1.4290	3.4383	2.5238		1.4989	1.1056	1.1056	2.1354	2.1577	2.1577
C6	3.6318	2.3349	4.5161	4.0001	1.4989		2.1771	2.1771	1.1020	1.1018	1.1018
H7	2.6168	2.0733	3.7342	2.4592	1.1056	2.1771		1.7856	2.5168	2.5282	3.0959
H8	2.6168	2.0733	3.7342	2.4592	1.1056	2.1771	1.7856		2.5168	3.0959	2.5282
H9	4.4768	3.3027	5.4678	4.6110	2.1354	1.1020	2.5168	2.5168		1.7851	1.7851
H10	3.9305	2.6038	4.6629	4.4519	2.1577	1.1018	2.5282	3.0959	1.7851		1.7882
H11	3.9305	2.6038	4.6629	4.4519	2.1577	1.1018	3.0959	2.5282	1.7851	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.071	O2	N1	O3	113.075
O2	N1	O4	116.754	O2	C5	C6	105.752
O2	C5	H7	109.099	O2	C5	H8	109.099
O3	N1	O4	130.170	C5	C6	H9	109.430
C5	C6	H10	111.216	C5	C6	H11	111.216
C6	C5	H7	112.549	C6	C5	H8	112.549
H7	C5	H8	107.714	H9	C6	H10	108.200
H9	C6	H11	108.200	H10	C6	H11	108.482

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

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

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	-0.051
2	O	-0.032
3	O	-0.076
4	O	-0.111
5	C	-0.139
6	C	-0.618
7	H	0.204
8	H	0.204
9	H	0.198
10	H	0.210
11	H	0.210

	x	y	z	Total
	-3.599	0.255	0.000	3.608
CHELPG
AIM
ESP

	x	y	z
x	9.557	-0.361	0.000
y	-0.361	7.335	0.000
z	0.000	0.000	5.176

<r²>	176.713
(<r²>)^1/2	13.293

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

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

States and conformations

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