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	hartrees
Energy at 0K	-322.963941
Energy at 298.15K	-322.973252
HF Energy	-321.958066
Nuclear repulsion energy	246.604081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3747	3561	37.40
2	A	3629	3448	27.29
3	A	3195	3036	18.03
4	A	3184	3025	17.12
5	A	3126	2970	19.61
6	A	3091	2937	12.68
7	A	3052	2900	39.73
8	A	1869	1776	467.18
9	A	1642	1560	126.13
10	A	1551	1473	2.68
11	A	1524	1448	2.85
12	A	1502	1427	6.36
13	A	1457	1384	11.48
14	A	1420	1349	18.06
15	A	1353	1285	369.46
16	A	1333	1266	2.28
17	A	1202	1143	5.51
18	A	1175	1116	23.09
19	A	1137	1080	123.90
20	A	1111	1055	34.76
21	A	1006	956	20.68
22	A	873	829	20.24
23	A	854	811	0.60
24	A	783	744	48.59
25	A	600	570	156.69
26	A	576	547	18.45
27	A	557	529	2.78
28	A	441	419	58.96
29	A	388	369	3.67
30	A	273	259	0.83
31	A	225	214	1.86
32	A	110	104	0.93
33	A	96	91	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	2.545	-0.248	0.059
H2	2.692	-0.858	-0.834
H3	3.361	0.477	0.132
H4	2.570	-0.898	0.935
C5	1.215	0.474	-0.013
H6	1.047	1.078	0.884
H7	1.190	1.131	-0.893
O8	0.202	-0.530	-0.122
N9	-1.368	1.171	0.093
H10	-0.758	1.813	-0.386
H11	-2.350	1.373	-0.023
C12	-1.110	-0.187	-0.013
O13	-1.961	-1.038	0.039

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0918	1.0936	1.0916	1.5147	2.1640	2.1551	2.3665	4.1622	3.9180	5.1563	3.6559	4.5750
H2	1.0918		1.7782	1.7741	2.1517	3.0673	2.4934	2.6104	4.6327	4.3859	5.5725	3.9471	4.7381
H3	1.0936	1.7782		1.7781	2.1506	2.5063	2.4887	3.3249	4.7795	4.3606	5.7823	4.5220	5.5343
H4	1.0916	1.7741	1.7781		2.1491	2.4959	3.0606	2.6188	4.5275	4.4912	5.5024	3.8659	4.6211
C5	1.5147	2.1517	2.1506	2.1491		1.0948	1.0985	1.4307	2.6775	2.4132	3.6762	2.4173	3.5186
H6	2.1640	3.0673	2.5063	2.4959	1.0948		1.7840	2.0769	2.5426	2.3259	3.5278	2.6568	3.7741
H7	2.1551	2.4934	2.4887	3.0606	1.0985	1.7840		2.0810	2.7415	2.1245	3.6527	2.7930	3.9375
O8	2.3665	2.6104	3.3249	2.6188	1.4307	2.0769	2.0810		2.3254	2.5464	3.1848	1.3606	2.2282
N9	4.1622	4.6327	4.7795	4.5275	2.6775	2.5426	2.7415	2.3254		1.0075	1.0089	1.3870	2.2886
H10	3.9180	4.3859	4.3606	4.4912	2.4132	2.3259	2.1245	2.5464	1.0075		1.6916	2.0656	3.1245
H11	5.1563	5.5725	5.7823	5.5024	3.6762	3.5278	3.6527	3.1848	1.0089	1.6916		1.9926	2.4427
C12	3.6559	3.9471	4.5220	3.8659	2.4173	2.6568	2.7930	1.3606	1.3870	2.0656	1.9926		1.2049
O13	4.5750	4.7381	5.5343	4.6211	3.5186	3.7741	3.9375	2.2282	2.2886	3.1245	2.4427	1.2049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.024	C1	C5	H7	110.097
C1	C5	O8	106.886	H2	C1	H3	108.916
H2	C1	H4	108.689	H2	C1	C5	110.228
H3	C1	H4	108.914	H3	C1	C5	110.027
H4	C1	C5	110.032	C5	O8	C12	119.978
H6	C5	H7	108.854	H6	C5	O8	109.931
H7	C5	O8	110.036	O8	C12	N9	115.623
O8	C12	O13	120.456	N9	C12	O13	123.855
H10	N9	H11	114.056	H10	N9	C12	118.365
H11	N9	C12	111.566

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)