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	hartrees
Energy at 0K	-322.844769
Energy at 298.15K	-322.854079
HF Energy	-321.896533
Nuclear repulsion energy	245.792068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3549	36.72
2	A	3601	3430	24.19
3	A	3212	3059	14.78
4	A	3202	3050	14.56
5	A	3134	2985	23.07
6	A	3099	2952	12.92
7	A	3051	2906	42.83
8	A	1878	1789	442.88
9	A	1628	1550	117.97
10	A	1527	1454	0.96
11	A	1502	1431	2.34
12	A	1482	1411	5.97
13	A	1439	1370	9.95
14	A	1401	1335	44.92
15	A	1355	1291	332.23
16	A	1314	1251	2.09
17	A	1186	1130	5.08
18	A	1167	1111	23.14
19	A	1136	1082	124.37
20	A	1112	1060	35.51
21	A	1005	958	23.08
22	A	871	829	20.03
23	A	841	801	0.44
24	A	787	750	51.74
25	A	609	580	153.47
26	A	572	545	11.87
27	A	555	529	0.82
28	A	435	414	55.28
29	A	386	368	3.44
30	A	275	262	0.91
31	A	224	214	1.66
32	A	113	108	0.90
33	A	100	95	2.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.548	-0.248	0.059
H2	2.700	-0.855	-0.846
H3	3.371	0.482	0.140
H4	2.575	-0.913	0.935
C5	1.215	0.473	-0.008
H6	1.041	1.078	0.898
H7	1.191	1.146	-0.888
O8	0.203	-0.535	-0.129
N9	-1.363	1.179	0.100
H10	-0.766	1.803	-0.433
H11	-2.352	1.372	-0.032
C12	-1.112	-0.186	-0.013
O13	-1.969	-1.040	0.041

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.1008	1.1020	1.1007	1.5171	2.1758	2.1639	2.3701	4.1640	3.9285	5.1625	3.6615	4.5867
H2	1.1008		1.7915	1.7865	2.1613	3.0876	2.5072	2.6173	4.6418	4.3878	5.5817	3.9590	4.7566
H3	1.1020	1.7915		1.7920	2.1608	2.5218	2.4999	3.3374	4.7854	4.3804	5.7946	4.5346	5.5533
H4	1.1007	1.7865	1.7920		2.1590	2.5140	3.0792	2.6266	4.5370	4.5181	5.5170	3.8756	4.6330
C5	1.5171	2.1613	2.1608	2.1590		1.1039	1.1081	1.4333	2.6756	2.4237	3.6792	2.4184	3.5256
H6	2.1758	3.0876	2.5218	2.5140	1.1039		1.7938	2.0876	2.5350	2.3585	3.5304	2.6572	3.7785
H7	2.1639	2.5072	2.4999	3.0792	1.1081	1.7938		2.0929	2.7393	2.1140	3.6527	2.8010	3.9535
O8	2.3701	2.6173	3.3374	2.6266	1.4333	2.0876	2.0929		2.3336	2.5497	3.1908	1.3658	2.2369
N9	4.1640	4.6418	4.7854	4.5370	2.6756	2.5350	2.7393	2.3336		1.0154	1.0163	1.3925	2.3003
H10	3.9285	4.3878	4.3804	4.5181	2.4237	2.3585	2.1140	2.5497	1.0154		1.6922	2.0623	3.1230
H11	5.1625	5.5817	5.7946	5.5170	3.6792	3.5304	3.6527	3.1908	1.0163	1.6922		1.9920	2.4433
C12	3.6615	3.9590	4.5346	3.8756	2.4184	2.6572	2.8010	1.3658	1.3925	2.0623	1.9920		1.2110
O13	4.5867	4.7566	5.5533	4.6330	3.5256	3.7785	3.9535	2.2369	2.3003	3.1230	2.4433	1.2110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.253	C1	C5	H7	110.058
C1	C5	O8	106.863	H2	C1	H3	108.842
H2	C1	H4	108.488	H2	C1	C5	110.284
H3	C1	H4	108.894	H3	C1	C5	110.177
H4	C1	C5	110.113	C5	O8	C12	119.516
H6	C5	H7	108.382	H6	C5	O8	110.060
H7	C5	O8	110.227	O8	C12	N9	115.565
O8	C12	O13	120.358	N9	C12	O13	124.006
H10	N9	H11	112.796	H10	N9	C12	116.984
H11	N9	C12	110.612

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)