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	hartrees
Energy at 0K	-357.602742
Energy at 298.15K	-357.611042
HF Energy	-357.602742
Nuclear repulsion energy	256.732588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	2959	46.60
2	A'	3259	2948	1.30
3	A'	3201	2895	20.18
4	A'	1893	1712	799.72
5	A'	1667	1507	1.18
6	A'	1633	1476	8.45
7	A'	1601	1448	136.55
8	A'	1559	1410	139.93
9	A'	1514	1369	127.68
10	A'	1250	1130	22.63
11	A'	1182	1069	284.94
12	A'	1101	996	19.95
13	A'	1004	908	6.17
14	A'	838	758	1.89
15	A'	647	586	16.86
16	A'	421	381	7.18
17	A'	251	227	0.55
18	A"	3323	3005	40.54
19	A"	3272	2959	15.25
20	A"	1618	1463	6.60
21	A"	1426	1289	1.82
22	A"	1296	1172	5.90
23	A"	920	832	28.63
24	A"	886	802	4.21
25	A"	273	247	0.57
26	A"	130	117	0.82
27	A"	108	98	1.19

Atom	x (Å)	y (Å)	z (Å)
N1	1.087	-0.256	0.000
O2	0.000	0.508	0.000
O3	2.090	0.345	0.000
O4	0.941	-1.428	0.000
C5	-1.265	-0.174	0.000
C6	-2.313	0.915	0.000
H7	-1.323	-0.799	0.878
H8	-1.323	-0.799	-0.878
H9	-3.298	0.463	0.000
H10	-2.223	1.540	0.879
H11	-2.223	1.540	-0.879

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3283	1.1698	1.1808	2.3534	3.5956	2.6218	2.6218	4.4435	3.8669	3.8669
O2	1.3283		2.0968	2.1518	1.4371	2.3483	2.0563	2.0563	3.2985	2.6038	2.6038
O3	1.1698	2.0968		2.1130	3.3955	4.4400	3.7057	3.7057	5.3899	4.5613	4.5613
O4	1.1808	2.1518	2.1130		2.5371	4.0089	2.5082	2.5082	4.6412	4.4259	4.4259
C5	2.3534	1.4371	3.3955	2.5371		1.5110	1.0792	1.0792	2.1304	2.1515	2.1515
C6	3.5956	2.3483	4.4400	4.0089	1.5110		2.1648	2.1648	1.0841	1.0827	1.0827
H7	2.6218	2.0563	3.7057	2.5082	1.0792	2.1648		1.7562	2.5026	2.5061	3.0607
H8	2.6218	2.0563	3.7057	2.5082	1.0792	2.1648	1.7562		2.5026	3.0607	2.5061
H9	4.4435	3.2985	5.3899	4.6412	2.1304	1.0841	2.5026	2.5026		1.7580	1.7580
H10	3.8669	2.6038	4.5613	4.4259	2.1515	1.0827	2.5061	3.0607	1.7580		1.7581
H11	3.8669	2.6038	4.5613	4.4259	2.1515	1.0827	3.0607	2.5061	1.7580	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.588	O2	N1	O3	113.992
O2	N1	O4	117.977	O2	C5	C6	105.577
O2	C5	H7	108.779	O2	C5	H8	108.779
O3	N1	O4	128.031	C5	C6	H9	109.256
C5	C6	H10	111.021	C5	C6	H11	111.021
C6	C5	H7	112.323	C6	C5	H8	112.323
H7	C5	H8	108.912	H9	C6	H10	108.455
H9	C6	H11	108.455	H10	C6	H11	108.560

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

using model chemistry: HF/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	0.711
2	O	-0.348
3	O	-0.353
4	O	-0.383
5	C	-0.144
6	C	-0.645
7	H	0.236
8	H	0.236
9	H	0.224
10	H	0.232
11	H	0.232

	x	y	z	Total
	-4.081	0.249	0.000	4.088
CHELPG
AIM
ESP

	x	y	z
x	7.040	0.234	0.000
y	0.234	5.890	0.000
z	0.000	0.000	4.034

<r²>	173.072
(<r²>)^1/2	13.156

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

using model chemistry: HF/6-311G*

States and conformations

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