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	hartrees
Energy at 0K	-359.208580
Energy at 298.15K	-359.216429
HF Energy	-358.852051
Nuclear repulsion energy	249.758406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3019	14.58
2	A'	3114	2962	10.80
3	A'	3093	2941	13.12
4	A'	1704	1621	366.43
5	A'	1544	1468	4.16
6	A'	1526	1452	6.82
7	A'	1448	1377	4.66
8	A'	1411	1342	5.35
9	A'	1298	1235	268.77
10	A'	1154	1097	13.18
11	A'	1044	993	60.60
12	A'	929	884	66.44
13	A'	856	814	223.61
14	A'	702	668	22.17
15	A'	561	533	1.27
16	A'	375	356	0.30
17	A'	225	214	0.61
18	A"	3192	3036	26.10
19	A"	3169	3014	1.80
20	A"	1512	1438	8.24
21	A"	1300	1236	0.65
22	A"	1193	1135	4.19
23	A"	835	794	0.19
24	A"	749	713	10.61
25	A"	256	244	0.47
26	A"	125	119	1.34
27	A"	88	84	0.42

Atom	x (Å)	y (Å)	z (Å)
N1	1.107	-0.316	0.000
O2	0.000	0.565	0.000
O3	2.174	0.264	0.000
O4	0.873	-1.516	0.000
C5	-1.290	-0.109	0.000
C6	-2.319	1.002	0.000
H7	-1.358	-0.738	0.888
H8	-1.358	-0.738	-0.888
H9	-3.317	0.561	0.000
H10	-2.217	1.628	0.887
H11	-2.217	1.628	-0.887

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4147	1.2144	1.2227	2.4057	3.6703	2.6538	2.6538	4.5099	3.9516	3.9516
O2	1.4147		2.1942	2.2570	1.4555	2.3594	2.0812	2.0812	3.3170	2.6138	2.6138
O3	1.2144	2.1942		2.2049	3.4835	4.5523	3.7771	3.7771	5.4985	4.6823	4.6823
O4	1.2227	2.2570	2.2049		2.5804	4.0655	2.5243	2.5243	4.6767	4.4969	4.4969
C5	2.4057	1.4555	3.4835	2.5804		1.5143	1.0901	1.0901	2.1350	2.1596	2.1596
C6	3.6703	2.3594	4.5523	4.0655	1.5143		2.1770	2.1770	1.0915	1.0900	1.0900
H7	2.6538	2.0812	3.7771	2.5243	1.0901	2.1770		1.7752	2.5125	2.5175	3.0798
H8	2.6538	2.0812	3.7771	2.5243	1.0901	2.1770	1.7752		2.5125	3.0798	2.5175
H9	4.5099	3.3170	5.4985	4.6767	2.1350	1.0915	2.5125	2.5125		1.7704	1.7704
H10	3.9516	2.6138	4.6823	4.4969	2.1596	1.0900	2.5175	3.0798	1.7704		1.7731
H11	3.9516	2.6138	4.6823	4.4969	2.1596	1.0900	3.0798	2.5175	1.7704	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.880	O2	N1	O3	112.924
O2	N1	O4	117.502	O2	C5	C6	105.190
O2	C5	H7	108.839	O2	C5	H8	108.839
O3	N1	O4	129.574	C5	C6	H9	108.951
C5	C6	H10	110.995	C5	C6	H11	110.995
C6	C5	H7	112.392	C6	C5	H8	112.392
H7	C5	H8	109.028	H9	C6	H10	108.491
H9	C6	H11	108.491	H10	C6	H11	108.849

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31+G**

States and conformations

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