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	hartrees
Energy at 0K	-357.318786
Energy at 298.15K	-357.326473
HF Energy	-357.318786
Nuclear repulsion energy	246.007999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3029	5.01
2	A'	3117	2988	2.74
3	A'	3045	2919	4.08
4	A'	1584	1518	8.22
5	A'	1561	1496	4.77
6	A'	1498	1436	218.91
7	A'	1461	1400	13.61
8	A'	1413	1354	3.06
9	A'	1193	1144	210.40
10	A'	1149	1102	60.74
11	A'	1038	995	67.23
12	A'	947	908	60.40
13	A'	873	837	49.25
14	A'	689	660	1.29
15	A'	532	510	3.11
16	A'	385	369	6.08
17	A'	229	220	0.15
18	A"	3212	3079	11.72
19	A"	3127	2998	2.75
20	A"	1540	1476	9.87
21	A"	1312	1258	0.01
22	A"	1199	1150	6.88
23	A"	858	822	2.09
24	A"	703	674	20.08
25	A"	202	193	1.54
26	A"	101	97	0.07
27	A"	74	71	0.82

Atom	x (Å)	y (Å)	z (Å)
N1	1.116	-0.312	0.000
O2	0.000	0.621	0.000
O3	2.231	0.242	0.000
O4	0.821	-1.537	0.000
C5	-1.288	-0.114	0.000
C6	-2.338	0.993	0.000
H7	-1.340	-0.743	0.889
H8	-1.340	-0.743	-0.889
H9	-3.337	0.548	0.000
H10	-2.226	1.618	0.888
H11	-2.226	1.618	-0.888

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4545	1.2453	1.2594	2.4123	3.6923	2.6475	2.6475	4.5353	3.9605	3.9605
O2	1.4545		2.2629	2.3086	1.4830	2.3676	2.1089	2.1089	3.3379	2.5963	2.5963
O3	1.2453	2.2629		2.2697	3.5372	4.6304	3.8100	3.8100	5.5765	4.7487	4.7487
O4	1.2594	2.3086	2.2697		2.5447	4.0474	2.4685	2.4685	4.6519	4.4755	4.4755
C5	2.4123	1.4830	3.5372	2.5447		1.5255	1.0906	1.0906	2.1531	2.1606	2.1606
C6	3.6923	2.3676	4.6304	4.0474	1.5255		2.1909	2.1909	1.0933	1.0920	1.0920
H7	2.6475	2.1089	3.8100	2.4685	1.0906	2.1909		1.7784	2.5388	2.5218	3.0853
H8	2.6475	2.1089	3.8100	2.4685	1.0906	2.1909	1.7784		2.5388	3.0853	2.5218
H9	4.5353	3.3379	5.5765	4.6519	2.1531	1.0933	2.5388	2.5388		1.7795	1.7795
H10	3.9605	2.5963	4.7487	4.4755	2.1606	1.0920	2.5218	3.0853	1.7795		1.7769
H11	3.9605	2.5963	4.7487	4.4755	2.1606	1.0920	3.0853	2.5218	1.7795	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	110.403	O2	N1	O3	113.665
O2	N1	O4	116.383	O2	C5	C6	103.799
O2	C5	H7	109.107	O2	C5	H8	109.107
O3	N1	O4	129.953	C5	C6	H9	109.502
C5	C6	H10	110.169	C5	C6	H11	110.169
C6	C5	H7	112.691	C6	C5	H8	112.691
H7	C5	H8	109.237	H9	C6	H10	109.037
H9	C6	H11	109.037	H10	C6	H11	108.901

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

using model chemistry: M06-2X/3-21G

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	0.542
2	O	-0.341
3	O	-0.274
4	O	-0.299
5	C	-0.173
6	C	-0.604
7	H	0.236
8	H	0.236
9	H	0.217
10	H	0.229
11	H	0.229

	x	y	z	Total
	-3.428	0.125	0.000	3.430
CHELPG
AIM
ESP

	x	y	z
x	7.673	-0.045	0.000
y	-0.045	5.579	0.000
z	0.000	0.000	3.452

<r²>	182.415
(<r²>)^1/2	13.506

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

using model chemistry: M06-2X/3-21G

States and conformations

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