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	hartrees
Energy at 0K	-322.908818
Energy at 298.15K	-322.918147
HF Energy	-321.944340
Nuclear repulsion energy	246.584494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3574	33.14
2	A	3641	3460	26.78
3	A	3199	3040	18.86
4	A	3185	3027	17.59
5	A	3135	2979	18.80
6	A	3093	2940	13.20
7	A	3058	2906	40.46
8	A	1870	1777	475.36
9	A	1702	1618	131.14
10	A	1568	1490	2.04
11	A	1540	1464	4.46
12	A	1522	1447	8.63
13	A	1465	1392	9.89
14	A	1437	1365	28.27
15	A	1366	1299	363.97
16	A	1341	1275	3.17
17	A	1209	1149	5.27
18	A	1182	1123	17.07
19	A	1139	1082	160.05
20	A	1124	1068	18.82
21	A	1009	959	19.18
22	A	875	831	20.59
23	A	857	814	1.10
24	A	788	749	53.27
25	A	607	577	182.96
26	A	579	550	13.80
27	A	558	530	3.11
28	A	453	431	67.05
29	A	390	371	3.93
30	A	276	262	0.85
31	A	226	215	1.85
32	A	112	106	0.39
33	A	96	91	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	2.535	-0.251	0.065
H2	2.689	-0.864	-0.824
H3	3.352	0.472	0.140
H4	2.556	-0.898	0.942
C5	1.211	0.473	-0.019
H6	1.036	1.081	0.875
H7	1.189	1.124	-0.903
O8	0.200	-0.533	-0.126
N9	-1.355	1.169	0.088
H10	-0.729	1.824	-0.345
H11	-2.332	1.391	-0.003
C12	-1.108	-0.186	-0.018
O13	-1.964	-1.034	0.043

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0908	1.0928	1.0906	1.5113	2.1626	2.1534	2.3595	4.1413	3.8892	5.1372	3.6446	4.5666
H2	1.0908		1.7756	1.7714	2.1494	3.0660	2.4915	2.6051	4.6171	4.3743	5.5649	3.9399	4.7355
H3	1.0928	1.7756		1.7758	2.1467	2.5050	2.4881	3.3185	4.7588	4.3262	5.7599	4.5107	5.5255
H4	1.0906	1.7714	1.7758		2.1474	2.4961	3.0593	2.6119	4.5052	4.4559	5.4794	3.8538	4.6099
C5	1.5113	2.1494	2.1467	2.1474		1.0946	1.0980	1.4303	2.6610	2.3864	3.6603	2.4107	3.5148
H6	2.1626	3.0660	2.5050	2.4961	1.0946		1.7844	2.0752	2.5188	2.2704	3.4945	2.6454	3.7633
H7	2.1534	2.4915	2.4881	3.0593	1.0980	1.7844		2.0799	2.7306	2.1162	3.6442	2.7880	3.9357
O8	2.3595	2.6051	3.3185	2.6119	1.4303	2.0752	2.0799		2.3160	2.5435	3.1831	1.3581	2.2278
N9	4.1413	4.6171	4.7588	4.5052	2.6610	2.5188	2.7306	2.3160		1.0049	1.0061	1.3811	2.2858
H10	3.8892	4.3743	4.3262	4.4559	2.3864	2.2704	2.1162	2.5435	1.0049		1.6962	2.0714	3.1376
H11	5.1372	5.5649	5.7599	5.4794	3.6603	3.4945	3.6442	3.1831	1.0061	1.6962		1.9961	2.4528
C12	3.6446	3.9399	4.5107	3.8538	2.4107	2.6454	2.7880	1.3581	1.3811	2.0714	1.9961		1.2065
O13	4.5666	4.7355	5.5255	4.6099	3.5148	3.7633	3.9357	2.2278	2.2858	3.1376	2.4528	1.2065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.165	C1	C5	H7	110.232
C1	C5	O8	106.635	H2	C1	H3	108.814
H2	C1	H4	108.593	H2	C1	C5	110.345
H3	C1	H4	108.845	H3	C1	C5	110.014
H4	C1	C5	110.189	C5	O8	C12	119.640
H6	C5	H7	108.944	H6	C5	O8	109.838
H7	C5	O8	110.008	O8	C12	N9	115.449
O8	C12	O13	120.498	N9	C12	O13	123.957
H10	N9	H11	115.014	H10	N9	C12	119.653
H11	N9	C12	112.523

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)