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	hartrees
Energy at 0K	-358.499211
Energy at 298.15K	-358.507240
HF Energy	-357.507635
Nuclear repulsion energy	251.643547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3008	13.79
2	A'	3119	2952	8.56
3	A'	3096	2930	9.87
4	A'	1842	1744	419.70
5	A'	1575	1491	1.86
6	A'	1550	1468	5.49
7	A'	1485	1406	2.37
8	A'	1456	1378	90.74
9	A'	1393	1318	205.78
10	A'	1188	1124	19.16
11	A'	1099	1040	95.02
12	A'	998	945	139.08
13	A'	932	882	65.01
14	A'	749	709	1.24
15	A'	592	561	3.97
16	A'	398	377	2.99
17	A'	239	226	0.39
18	A"	3193	3022	25.57
19	A"	3170	3001	3.15
20	A"	1538	1456	6.81
21	A"	1324	1253	0.35
22	A"	1220	1155	5.04
23	A"	851	806	0.04
24	A"	791	749	19.62
25	A"	263	249	0.50
26	A"	126	119	1.25
27	A"	105	99	0.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.096	-0.293	0.000
O2	0.000	0.554	0.000
O3	2.149	0.296	0.000
O4	0.889	-1.489	0.000
C5	-1.276	-0.136	0.000
C6	-2.315	0.967	0.000
H7	-1.342	-0.769	0.889
H8	-1.342	-0.769	-0.889
H9	-3.316	0.522	0.000
H10	-2.213	1.597	0.890
H11	-2.213	1.597	-0.890

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3854	1.2062	1.2141	2.3771	3.6369	2.6386	2.6386	4.4870	3.9134	3.9134
O2	1.3854		2.1641	2.2284	1.4502	2.3519	2.0841	2.0841	3.3164	2.6032	2.6032
O3	1.2062	2.1641		2.1853	3.4515	4.5141	3.7565	3.7565	5.4695	4.6378	4.6378
O4	1.2141	2.2284	2.1853		2.5531	4.0376	2.5071	2.5071	4.6613	4.4652	4.4652
C5	2.3771	1.4502	3.4515	2.5531		1.5157	1.0941	1.0941	2.1438	2.1612	2.1612
C6	3.6369	2.3519	4.5141	4.0376	1.5157		2.1806	2.1806	1.0956	1.0943	1.0943
H7	2.6386	2.0841	3.7565	2.5071	1.0941	2.1806		1.7786	2.5210	2.5214	3.0857
H8	2.6386	2.0841	3.7565	2.5071	1.0941	2.1806	1.7786		2.5210	3.0857	2.5214
H9	4.4870	3.3164	5.4695	4.6613	2.1438	1.0956	2.5210	2.5210		1.7784	1.7784
H10	3.9134	2.6032	4.6378	4.4652	2.1612	1.0943	2.5214	3.0857	1.7784		1.7790
H11	3.9134	2.6032	4.6378	4.4652	2.1612	1.0943	3.0857	2.5214	1.7784	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.904	O2	N1	O3	113.055
O2	N1	O4	117.867	O2	C5	C6	104.910
O2	C5	H7	109.198	O2	C5	H8	109.198
O3	N1	O4	129.078	C5	C6	H9	109.305
C5	C6	H10	110.760	C5	C6	H11	110.760
C6	C5	H7	112.336	C6	C5	H8	112.336
H7	C5	H8	108.743	H9	C6	H10	108.603
H9	C6	H11	108.603	H10	C6	H11	108.753

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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