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	hartrees
Energy at 0K	-322.768968
Energy at 298.15K	-322.778257
HF Energy	-321.866939
Nuclear repulsion energy	245.818577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3520	40.50
2	A	3613	3407	33.78
3	A	3229	3045	14.31
4	A	3214	3030	14.27
5	A	3157	2977	19.71
6	A	3122	2944	10.44
7	A	3078	2903	37.30
8	A	1876	1769	432.37
9	A	1680	1584	126.91
10	A	1587	1497	2.21
11	A	1563	1474	4.26
12	A	1548	1460	5.98
13	A	1483	1398	8.15
14	A	1449	1366	29.58
15	A	1376	1297	362.39
16	A	1342	1266	4.12
17	A	1217	1148	4.99
18	A	1186	1119	14.04
19	A	1138	1073	146.31
20	A	1130	1065	15.76
21	A	1018	960	19.95
22	A	876	827	19.09
23	A	863	813	1.46
24	A	773	729	62.97
25	A	608	573	181.31
26	A	572	539	11.34
27	A	556	524	2.23
28	A	447	421	77.80
29	A	388	366	4.78
30	A	279	263	0.99
31	A	225	213	1.49
32	A	108	102	1.18
33	A	98	92	2.89

Atom	x (Å)	y (Å)	z (Å)
C1	2.541	-0.255	0.057
H2	2.686	-0.852	-0.845
H3	3.362	0.462	0.142
H4	2.562	-0.920	0.923
C5	1.222	0.478	-0.005
H6	1.053	1.071	0.900
H7	1.198	1.148	-0.876
O8	0.204	-0.527	-0.127
N9	-1.366	1.171	0.083
H10	-0.744	1.833	-0.358
H11	-2.350	1.387	-0.004
C12	-1.111	-0.184	-0.020
O13	-1.969	-1.043	0.045

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0915	1.0935	1.0914	1.5108	2.1645	2.1545	2.3601	4.1595	3.9153	5.1604	3.6538	4.5788
H2	1.0915		1.7775	1.7733	2.1488	3.0677	2.4923	2.6036	4.6228	4.3834	5.5752	3.9424	4.7431
H3	1.0935	1.7775		1.7779	2.1456	2.5058	2.4876	3.3203	4.7814	4.3581	5.7888	4.5226	5.5406
H4	1.0914	1.7733	1.7779		2.1470	2.4983	3.0606	2.6103	4.5278	4.4886	5.5052	3.8621	4.6165
C5	1.5108	2.1488	2.1456	2.1470		1.0954	1.0988	1.4353	2.6804	2.4139	3.6860	2.4249	3.5350
H6	2.1645	3.0677	2.5058	2.4983	1.0954		1.7835	2.0808	2.5549	2.3221	3.5354	2.6652	3.7856
H7	2.1545	2.4923	2.4876	3.0606	1.0988	1.7835		2.0864	2.7381	2.1244	3.6622	2.8000	3.9596
O8	2.3601	2.6036	3.3203	2.6103	1.4353	2.0808	2.0864		2.3221	2.5542	3.1944	1.3634	2.2403
N9	4.1595	4.6228	4.7814	4.5278	2.6804	2.5549	2.7381	2.3221		1.0101	1.0116	1.3825	2.2941
H10	3.9153	4.3834	4.3581	4.4886	2.4139	2.3221	2.1244	2.5542	1.0101		1.7041	2.0783	3.1516
H11	5.1604	5.5752	5.7888	5.5052	3.6860	3.5354	3.6622	3.1944	1.0116	1.7041		2.0012	2.4595
C12	3.6538	3.9424	4.5226	3.8621	2.4249	2.6652	2.8000	1.3634	1.3825	2.0783	2.0012		1.2155
O13	4.5788	4.7431	5.5406	4.6165	3.5350	3.7856	3.9596	2.2403	2.2941	3.1516	2.4595	1.2155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.307	C1	C5	H7	110.304
C1	C5	O8	106.444	H2	C1	H3	108.877
H2	C1	H4	108.655	H2	C1	C5	110.287
H3	C1	H4	108.925	H3	C1	C5	109.915
H4	C1	C5	110.146	C5	O8	C12	120.074
H6	C5	H7	108.747	H6	C5	O8	109.890
H7	C5	O8	110.136	O8	C12	N9	115.486
O8	C12	O13	120.519	N9	C12	O13	123.899
H10	N9	H11	114.899	H10	N9	C12	119.797
H11	N9	C12	112.493

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)