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	hartrees
Energy at 0K	-357.514120
Energy at 298.15K	-357.522402
HF Energy	-357.514120
Nuclear repulsion energy	256.150804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	2963	34.72
2	A'	3284	2951	1.26
3	A'	3224	2897	16.18
4	A'	1906	1713	722.49
5	A'	1672	1502	2.40
6	A'	1642	1476	8.18
7	A'	1612	1449	154.66
8	A'	1572	1413	101.75
9	A'	1519	1365	138.39
10	A'	1253	1126	24.08
11	A'	1187	1067	264.27
12	A'	1103	991	15.26
13	A'	1003	901	6.16
14	A'	828	744	2.56
15	A'	644	578	16.98
16	A'	421	379	7.78
17	A'	251	226	0.55
18	A"	3349	3010	30.81
19	A"	3302	2966	10.94
20	A"	1628	1463	5.27
21	A"	1419	1275	1.35
22	A"	1297	1165	6.18
23	A"	918	825	29.21
24	A"	890	800	5.16
25	A"	275	247	0.55
26	A"	132	118	0.92
27	A"	109	98	0.93

Atom	x (Å)	y (Å)	z (Å)
N1	1.085	-0.257	0.000
O2	0.000	0.510	0.000
O3	2.097	0.346	0.000
O4	0.936	-1.435	0.000
C5	-1.266	-0.174	0.000
C6	-2.313	0.919	0.000
H7	-1.324	-0.797	0.879
H8	-1.324	-0.797	-0.879
H9	-3.299	0.467	0.000
H10	-2.220	1.543	0.880
H11	-2.220	1.543	-0.880

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3282	1.1780	1.1872	2.3524	3.5951	2.6208	2.6208	4.4430	3.8644	3.8644
O2	1.3282		2.1034	2.1579	1.4391	2.3486	2.0578	2.0578	3.2990	2.6019	2.6019
O3	1.1780	2.1034		2.1255	3.4031	4.4467	3.7127	3.7127	5.3971	4.5652	4.5652
O4	1.1872	2.1579	2.1255		2.5374	4.0117	2.5076	2.5076	4.6425	4.4274	4.4274
C5	2.3524	1.4391	3.4031	2.5374		1.5133	1.0790	1.0790	2.1315	2.1527	2.1527
C6	3.5951	2.3486	4.4467	4.0117	1.5133		2.1668	2.1668	1.0845	1.0831	1.0831
H7	2.6208	2.0578	3.7127	2.5076	1.0790	2.1668		1.7580	2.5042	2.5062	3.0619
H8	2.6208	2.0578	3.7127	2.5076	1.0790	2.1668	1.7580		2.5042	3.0619	2.5062
H9	4.4430	3.2990	5.3971	4.6425	2.1315	1.0845	2.5042	2.5042		1.7597	1.7597
H10	3.8644	2.6019	4.5652	4.4274	2.1527	1.0831	2.5062	3.0619	1.7597		1.7600
H11	3.8644	2.6019	4.5652	4.4274	2.1527	1.0831	3.0619	2.5062	1.7597	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.381	O2	N1	O3	113.990
O2	N1	O4	118.050	O2	C5	C6	105.373
O2	C5	H7	108.773	O2	C5	H8	108.773
O3	N1	O4	127.960	C5	C6	H9	109.157
C5	C6	H10	110.925	C5	C6	H11	110.925
C6	C5	H7	112.328	C6	C5	H8	112.328
H7	C5	H8	109.103	H9	C6	H10	108.547
H9	C6	H11	108.547	H10	C6	H11	108.678

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

using model chemistry: HF/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	0.973
2	O	-0.501
3	O	-0.443
4	O	-0.476
5	C	-0.017
6	C	-0.511
7	H	0.203
8	H	0.203
9	H	0.183
10	H	0.193
11	H	0.193

	x	y	z	Total
	-4.119	0.268	0.000	4.128
CHELPG
AIM
ESP

	x	y	z
x	6.900	0.205	0.000
y	0.205	5.740	0.000
z	0.000	0.000	4.026

<r²>	173.331
(<r²>)^1/2	13.166

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

using model chemistry: HF/6-31G*

States and conformations

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