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	hartrees
Energy at 0K	-322.899770
Energy at 298.15K	-322.909076
HF Energy	-321.894101
Nuclear repulsion energy	246.718682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3824	3562	45.18
2	A	3705	3452	35.06
3	A	3245	3023	20.52
4	A	3230	3009	19.92
5	A	3181	2963	18.66
6	A	3142	2927	14.78
7	A	3111	2898	38.56
8	A	1895	1766	637.94
9	A	1696	1580	131.53
10	A	1585	1477	2.17
11	A	1554	1448	2.66
12	A	1537	1432	6.32
13	A	1490	1388	11.63
14	A	1455	1356	39.96
15	A	1400	1304	397.16
16	A	1345	1253	1.47
17	A	1218	1134	5.25
18	A	1196	1114	31.18
19	A	1160	1081	128.35
20	A	1139	1061	14.22
21	A	1027	957	15.26
22	A	890	829	15.63
23	A	859	801	0.25
24	A	790	736	48.94
25	A	599	558	133.51
26	A	582	542	47.56
27	A	568	529	5.71
28	A	442	412	75.27
29	A	391	364	4.58
30	A	265	247	0.81
31	A	225	209	1.98
32	A	101	94	0.54
33	A	93	87	3.00

Atom	x (Å)	y (Å)	z (Å)
C1	2.544	-0.252	0.055
H2	2.692	-0.832	-0.853
H3	3.357	0.465	0.150
H4	2.568	-0.927	0.907
C5	1.220	0.477	0.003
H6	1.056	1.054	0.913
H7	1.199	1.158	-0.852
O8	0.198	-0.512	-0.135
N9	-1.381	1.162	0.075
H10	-0.762	1.836	-0.336
H11	-2.360	1.377	0.006
C12	-1.106	-0.189	-0.021
O13	-1.952	-1.048	0.050

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0869	1.0883	1.0867	1.5129	2.1583	2.1497	2.3679	4.1727	3.9301	5.1682	3.6519	4.5660
H2	1.0869		1.7695	1.7664	2.1475	3.0579	2.4874	2.6144	4.6289	4.3947	5.5803	3.9410	4.7355
H3	1.0883	1.7695		1.7699	2.1422	2.4944	2.4779	3.3185	4.7896	4.3678	5.7909	4.5139	5.5211
H4	1.0867	1.7664	1.7699		2.1458	2.4916	3.0517	2.6211	4.5443	4.5017	5.5139	3.8605	4.6018
C5	1.5129	2.1475	2.1422	2.1458		1.0904	1.0933	1.4284	2.6907	2.4268	3.6913	2.4194	3.5194
H6	2.1583	3.0579	2.4944	2.4916	1.0904		1.7745	2.0702	2.5797	2.3405	3.5492	2.6629	3.7696
H7	2.1497	2.4874	2.4779	3.0517	1.0933	1.7745		2.0752	2.7419	2.1381	3.6679	2.7965	3.9508
O8	2.3679	2.6144	3.3185	2.6211	1.4284	2.0702	2.0752		2.3115	2.5453	3.1836	1.3490	2.2236
N9	4.1727	4.6289	4.7896	4.5443	2.6907	2.5797	2.7419	2.3115		1.0035	1.0045	1.3821	2.2828
H10	3.9301	4.3947	4.3678	4.5017	2.4268	2.3405	2.1381	2.5453	1.0035		1.6979	2.0783	3.1439
H11	5.1682	5.5803	5.7909	5.5139	3.6913	3.5492	3.6679	3.1836	1.0045	1.6979		2.0062	2.4595
C12	3.6519	3.9410	4.5139	3.8605	2.4194	2.6629	2.7965	1.3490	1.3821	2.0783	2.0062		1.2075
O13	4.5660	4.7355	5.5211	4.6018	3.5194	3.7696	3.9508	2.2236	2.2828	3.1439	2.4595	1.2075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.961	C1	C5	H7	110.100
C1	C5	O8	107.191	H2	C1	H3	108.879
H2	C1	H4	108.712	H2	C1	C5	110.307
H3	C1	H4	108.924	H3	C1	C5	109.799
H4	C1	C5	110.185	C5	O8	C12	121.155
H6	C5	H7	108.703	H6	C5	O8	109.829
H7	C5	O8	110.051	O8	C12	N9	115.639
O8	C12	O13	120.771	N9	C12	O13	123.513
H10	N9	H11	115.466	H10	N9	C12	120.364
H11	N9	C12	113.467

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP3=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 NH2COOC2H5 (Urethane)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)