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	hartrees
Energy at 0K	-358.511649
Energy at 298.15K	-358.519708
HF Energy	-357.508887
Nuclear repulsion energy	252.251997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3007	12.61
2	A'	3143	2949	8.07
3	A'	3122	2929	8.88
4	A'	1858	1743	424.87
5	A'	1583	1486	1.94
6	A'	1559	1462	5.81
7	A'	1494	1402	6.51
8	A'	1466	1376	106.18
9	A'	1405	1318	183.33
10	A'	1194	1121	19.82
11	A'	1107	1039	100.93
12	A'	1011	949	142.07
13	A'	941	883	49.85
14	A'	756	709	1.05
15	A'	598	561	4.45
16	A'	402	377	3.49
17	A'	241	226	0.38
18	A"	3217	3019	23.32
19	A"	3195	2997	3.37
20	A"	1546	1451	7.21
21	A"	1332	1250	0.43
22	A"	1226	1151	5.20
23	A"	855	802	0.05
24	A"	797	748	19.77
25	A"	265	249	0.47
26	A"	127	119	1.21
27	A"	106	99	0.36

Atom	x (Å)	y (Å)	z (Å)
N1	1.093	-0.289	0.000
O2	0.000	0.552	0.000
O3	2.143	0.298	0.000
O4	0.890	-1.483	0.000
C5	-1.272	-0.138	0.000
C6	-2.313	0.961	0.000
H7	-1.337	-0.771	0.887
H8	-1.337	-0.771	-0.887
H9	-3.310	0.514	0.000
H10	-2.212	1.589	0.888
H11	-2.212	1.589	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3797	1.2034	1.2114	2.3706	3.6284	2.6315	2.6315	4.4764	3.9043	3.9043
O2	1.3797		2.1584	2.2216	1.4476	2.3486	2.0798	2.0798	3.3107	2.5995	2.5995
O3	1.2034	2.1584		2.1787	3.4437	4.5052	3.7475	3.7475	5.4582	4.6288	4.6288
O4	1.2114	2.2216	2.1787		2.5466	4.0289	2.5005	2.5005	4.6510	4.4555	4.4555
C5	2.3706	1.4476	3.4437	2.5466		1.5134	1.0920	1.0920	2.1398	2.1574	2.1574
C6	3.6284	2.3486	4.5052	4.0289	1.5134		2.1773	2.1773	1.0933	1.0921	1.0921
H7	2.6315	2.0798	3.7475	2.5005	1.0920	2.1773		1.7749	2.5168	2.5174	3.0803
H8	2.6315	2.0798	3.7475	2.5005	1.0920	2.1773	1.7749		2.5168	3.0803	2.5174
H9	4.4764	3.3107	5.4582	4.6510	2.1398	1.0933	2.5168	2.5168		1.7749	1.7749
H10	3.9043	2.5995	4.6288	4.4555	2.1574	1.0921	2.5174	3.0803	1.7749		1.7755
H11	3.9043	2.5995	4.6288	4.4555	2.1574	1.0921	3.0803	2.5174	1.7749	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.938	O2	N1	O3	113.181
O2	N1	O4	117.911	O2	C5	C6	104.949
O2	C5	H7	109.162	O2	C5	H8	109.162
O3	N1	O4	128.908	C5	C6	H9	109.285
C5	C6	H10	110.756	C5	C6	H11	110.756
C6	C5	H7	112.365	C6	C5	H8	112.365
H7	C5	H8	108.718	H9	C6	H10	108.616
H9	C6	H11	108.616	H10	C6	H11	108.758

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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