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	hartrees
Energy at 0K	-358.580838
Energy at 298.15K	-358.588757
HF Energy	-357.519459
Nuclear repulsion energy	249.938518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3038	11.50
2	A'	3153	2962	11.07
3	A'	3137	2946	11.70
4	A'	1837	1726	243.32
5	A'	1566	1471	3.63
6	A'	1548	1453	5.77
7	A'	1468	1379	5.84
8	A'	1426	1340	3.45
9	A'	1298	1220	266.59
10	A'	1173	1101	14.64
11	A'	1075	1009	67.60
12	A'	950	892	70.64
13	A'	862	809	274.53
14	A'	717	673	14.21
15	A'	568	534	0.40
16	A'	382	359	0.14
17	A'	230	216	0.60
18	A"	3252	3054	18.52
19	A"	3220	3024	6.64
20	A"	1532	1439	7.81
21	A"	1314	1234	0.61
22	A"	1208	1135	4.06
23	A"	848	797	0.13
24	A"	745	699	8.13
25	A"	263	247	0.50
26	A"	121	114	1.61
27	A"	100	94	0.24

Atom	x (Å)	y (Å)	z (Å)
N1	1.100	-0.320	0.000
O2	0.000	0.569	0.000
O3	2.175	0.259	0.000
O4	0.855	-1.522	0.000
C5	-1.284	-0.105	0.000
C6	-2.304	1.009	0.000
H7	-1.357	-0.732	0.886
H8	-1.357	-0.732	-0.886
H9	-3.303	0.575	0.000
H10	-2.196	1.630	0.885
H11	-2.196	1.630	-0.885

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4146	1.2208	1.2266	2.3944	3.6547	2.6441	2.6441	4.4932	3.9313	3.9313
O2	1.4146		2.1966	2.2590	1.4506	2.3459	2.0782	2.0782	3.3029	2.5949	2.5949
O3	1.2208	2.1966		2.2169	3.4783	4.5413	3.7734	3.7734	5.4866	4.6657	4.6657
O4	1.2266	2.2590	2.2169		2.5662	4.0480	2.5101	2.5101	4.6568	4.4757	4.4757
C5	2.3944	1.4506	3.4783	2.5662		1.5102	1.0881	1.0881	2.1299	2.1510	2.1510
C6	3.6547	2.3459	4.5413	4.0480	1.5102		2.1713	2.1713	1.0887	1.0868	1.0868
H7	2.6441	2.0782	3.7734	2.5101	1.0881	2.1713		1.7726	2.5065	2.5075	3.0699
H8	2.6441	2.0782	3.7734	2.5101	1.0881	2.1713	1.7726		2.5065	3.0699	2.5075
H9	4.4932	3.3029	5.4866	4.6568	2.1299	1.0887	2.5065	2.5065		1.7668	1.7668
H10	3.9313	2.5949	4.6657	4.4757	2.1510	1.0868	2.5075	3.0699	1.7668		1.7697
H11	3.9313	2.5949	4.6657	4.4757	2.1510	1.0868	3.0699	2.5075	1.7668	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.371	O2	N1	O3	112.719
O2	N1	O4	117.412	O2	C5	C6	104.791
O2	C5	H7	109.057	O2	C5	H8	109.057
O3	N1	O4	129.869	C5	C6	H9	109.002
C5	C6	H10	110.781	C5	C6	H11	110.781
C6	C5	H7	112.352	C6	C5	H8	112.352
H7	C5	H8	109.079	H9	C6	H10	108.607
H9	C6	H11	108.607	H10	C6	H11	109.009

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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