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	hartrees
Energy at 0K	-357.316843
Energy at 298.15K	-357.324919
HF Energy	-357.316843
Nuclear repulsion energy	251.243616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	2973	22.15
2	A'	3280	2962	0.13
3	A'	3213	2901	14.26
4	A'	1675	1512	38.38
5	A'	1661	1500	506.92
6	A'	1654	1494	84.28
7	A'	1592	1437	12.27
8	A'	1549	1399	23.78
9	A'	1400	1264	254.32
10	A'	1245	1124	10.00
11	A'	1109	1001	144.38
12	A'	1060	957	113.33
13	A'	943	852	9.64
14	A'	770	695	2.05
15	A'	591	533	24.77
16	A'	401	362	10.89
17	A'	233	210	0.82
18	A"	3355	3030	18.61
19	A"	3304	2983	8.52
20	A"	1640	1481	8.87
21	A"	1415	1278	0.41
22	A"	1298	1172	9.42
23	A"	916	827	0.22
24	A"	819	739	32.55
25	A"	255	230	0.94
26	A"	122	110	2.60
27	A"	93	84	1.52

Atom	x (Å)	y (Å)	z (Å)
N1	1.097	-0.285	0.000
O2	0.000	0.515	0.000
O3	2.150	0.301	0.000
O4	0.924	-1.496	0.000
C5	-1.324	-0.144	0.000
C6	-2.311	0.999	0.000
H7	-1.387	-0.761	0.880
H8	-1.387	-0.761	-0.880
H9	-3.319	0.602	0.000
H10	-2.184	1.617	0.878
H11	-2.184	1.617	-0.878

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3579	1.2053	1.2229	2.4253	3.6417	2.6785	2.6785	4.5041	3.8934	3.8934
O2	1.3579		2.1605	2.2127	1.4790	2.3608	2.0805	2.0805	3.3199	2.5995	2.5995
O3	1.2053	2.1605		2.1757	3.5025	4.5148	3.7971	3.7971	5.4770	4.6140	4.6140
O4	1.2229	2.2127	2.1757		2.6229	4.0848	2.5800	2.5800	4.7330	4.4859	4.4859
C5	2.4253	1.4790	3.5025	2.6229		1.5100	1.0769	1.0769	2.1298	2.1479	2.1479
C6	3.6417	2.3608	4.5148	4.0848	1.5100		2.1738	2.1738	1.0835	1.0810	1.0810
H7	2.6785	2.0805	3.7971	2.5800	1.0769	2.1738		1.7606	2.5226	2.5085	3.0632
H8	2.6785	2.0805	3.7971	2.5800	1.0769	2.1738	1.7606		2.5226	3.0632	2.5085
H9	4.5041	3.3199	5.4770	4.7330	2.1298	1.0835	2.5226	2.5226		1.7571	1.7571
H10	3.8934	2.5995	4.6140	4.4859	2.1479	1.0810	2.5085	3.0632	1.7571		1.7554
H11	3.8934	2.5995	4.6140	4.4859	2.1479	1.0810	3.0632	2.5085	1.7571	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	117.434	O2	N1	O3	114.768
O2	N1	O4	117.957	O2	C5	C6	104.330
O2	C5	H7	107.942	O2	C5	H8	107.942
O3	N1	O4	127.275	C5	C6	H9	109.306
C5	C6	H10	110.902	C5	C6	H11	110.902
C6	C5	H7	113.285	C6	C5	H8	113.285
H7	C5	H8	109.662	H9	C6	H10	108.547
H9	C6	H11	108.547	H10	C6	H11	108.573

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	0.699
2	O	-0.502
3	O	-0.335
4	O	-0.389
5	C	0.008
6	C	-0.474
7	H	0.213
8	H	0.213
9	H	0.177
10	H	0.194
11	H	0.194

	x	y	z	Total
	-4.771	0.322	0.000	4.782
CHELPG
AIM
ESP

	x	y	z
x	7.239	0.328	0.000
y	0.328	5.898	0.000
z	0.000	0.000	3.666

<r²>	179.414
(<r²>)^1/2	13.395

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)