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	hartrees
Energy at 0K	-322.792680
Energy at 298.15K	-322.801978
HF Energy	-321.867291
Nuclear repulsion energy	246.049404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3519	41.30
2	A	3615	3406	34.43
3	A	3230	3044	14.06
4	A	3215	3029	14.08
5	A	3157	2974	20.00
6	A	3123	2942	10.31
7	A	3078	2900	37.20
8	A	1881	1772	435.38
9	A	1681	1583	128.30
10	A	1588	1496	2.28
11	A	1564	1473	4.28
12	A	1549	1459	6.07
13	A	1484	1398	8.15
14	A	1451	1367	30.20
15	A	1378	1298	364.21
16	A	1344	1267	4.00
17	A	1219	1148	5.04
18	A	1188	1119	15.08
19	A	1141	1075	142.19
20	A	1131	1065	15.78
21	A	1019	961	19.54
22	A	878	827	18.86
23	A	864	814	1.36
24	A	777	732	59.37
25	A	605	570	176.68
26	A	573	540	13.77
27	A	557	525	2.26
28	A	444	419	83.23
29	A	389	367	5.43
30	A	280	264	0.95
31	A	226	213	1.54
32	A	110	103	1.09
33	A	98	93	2.89

Atom	x (Å)	y (Å)	z (Å)
C1	2.544	-0.253	0.062
H2	2.693	-0.838	-0.847
H3	3.368	0.458	0.163
H4	2.556	-0.930	0.917
C5	1.226	0.482	0.000
H6	1.046	1.062	0.911
H7	1.209	1.164	-0.861
O8	0.206	-0.519	-0.147
N9	-1.378	1.168	0.087
H10	-0.785	1.825	-0.402
H11	-2.369	1.364	0.009
C12	-1.109	-0.185	-0.017
O13	-1.960	-1.049	0.050

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0912	1.0933	1.0911	1.5109	2.1668	2.1546	2.3626	4.1721	3.9521	5.1723	3.6547	4.5737
H2	1.0912		1.7763	1.7723	2.1483	3.0683	2.4924	2.6039	4.6344	4.4037	5.5864	3.9466	4.7437
H3	1.0933	1.7763		1.7768	2.1488	2.5135	2.4916	3.3245	4.8000	4.4090	5.8099	4.5268	5.5383
H4	1.0911	1.7723	1.7768		2.1462	2.4999	3.0598	2.6122	4.5355	4.5271	5.5080	3.8549	4.5995
C5	1.5109	2.1483	2.1488	2.1462		1.0943	1.0983	1.4372	2.6943	2.4513	3.7009	2.4284	3.5350
H6	2.1668	3.0683	2.5135	2.4999	1.0943		1.7818	2.0796	2.5624	2.3784	3.5442	2.6568	3.7725
H7	2.1546	2.4924	2.4916	3.0598	1.0983	1.7818		2.0860	2.7557	2.1508	3.6874	2.8117	3.9714
O8	2.3626	2.6039	3.3245	2.6122	1.4372	2.0796	2.0860		2.3266	2.5582	3.1938	1.3631	2.2381
N9	4.1721	4.6344	4.8000	4.5355	2.6943	2.5624	2.7557	2.3266		1.0108	1.0124	1.3834	2.2930
H10	3.9521	4.4037	4.4090	4.5271	2.4513	2.3784	2.1508	2.5582	1.0108		1.6993	2.0716	3.1378
H11	5.1723	5.5864	5.8099	5.5080	3.7009	3.5442	3.6874	3.1938	1.0124	1.6993		1.9965	2.4485
C12	3.6547	3.9466	4.5268	3.8549	2.4284	2.6568	2.8117	1.3631	1.3834	2.0716	1.9965		1.2149
O13	4.5737	4.7437	5.5383	4.5995	3.5350	3.7725	3.9714	2.2381	2.2930	3.1378	2.4485	1.2149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.549	C1	C5	H7	110.336
C1	C5	O8	106.503	H2	C1	H3	108.804
H2	C1	H4	108.611	H2	C1	C5	110.255
H3	C1	H4	108.864	H3	C1	C5	110.171
H4	C1	C5	110.095	C5	O8	C12	120.243
H6	C5	H7	108.710	H6	C5	O8	109.730
H7	C5	O8	109.996	O8	C12	N9	115.792
O8	C12	O13	120.387	N9	C12	O13	123.763
H10	N9	H11	114.256	H10	N9	C12	119.002
H11	N9	C12	111.954

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2=FULL/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 NH2COOC2H5 (Urethane)

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

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)