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	hartrees
Energy at 0K	-62.099163
Energy at 298.15K	-62.107790
HF Energy	-61.476978
Nuclear repulsion energy	133.923473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3652	35.01
2	A	3584	3498	36.68
3	A	3116	3041	34.22
4	A	3091	3017	30.86
5	A	3047	2974	32.83
6	A	2987	2916	24.63
7	A	2970	2899	40.17
8	A	1717	1676	287.02
9	A	1657	1618	305.75
10	A	1545	1507	1.76
11	A	1521	1485	6.77
12	A	1507	1471	6.59
13	A	1458	1423	9.47
14	A	1420	1385	17.43
15	A	1295	1264	331.48
16	A	1293	1262	53.38
17	A	1168	1140	4.56
18	A	1142	1115	6.01
19	A	1075	1049	55.72
20	A	1048	1023	109.26
21	A	951	928	78.07
22	A	847	827	0.11
23	A	788	769	31.38
24	A	673	657	18.93
25	A	536	523	3.70
26	A	512	499	5.44
27	A	492	480	92.65
28	A	363	354	0.88
29	A	265	258	236.05
30	A	240	234	7.83
31	A	206	201	3.87
32	A	91	89	0.85
33	A	24	23	5.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.604	-0.256	0.015
H2	-2.662	-0.913	0.896
H3	-3.437	0.467	0.050
H4	-2.698	-0.868	-0.893
C5	-1.258	0.500	0.007
H6	-1.167	1.146	-0.886
H7	-1.122	1.096	0.927
O8	-0.197	-0.560	-0.047
N9	1.479	1.155	0.012
H10	0.786	1.884	-0.074
H11	2.460	1.408	0.032
C12	1.183	-0.217	-0.006
O13	2.057	-1.123	0.018

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0998	1.1036	1.0998	1.5436	2.2002	2.2031	2.4263	4.3197	4.0094	5.3299	3.7872	4.7410
H2	1.0998		1.7943	1.7900	2.1807	3.1055	2.5308	2.6618	4.7117	4.5436	5.6885	4.0099	4.8044
H3	1.1036	1.7943		1.7940	2.1794	2.5470	2.5536	3.3997	4.9638	4.4554	5.9710	4.6706	5.7196
H4	1.0998	1.7900	1.7940		2.1812	2.5300	3.1074	2.6582	4.7288	4.5150	5.7133	4.0344	4.8487
C5	1.5436	2.1807	2.1794	2.1812		1.1056	1.1047	1.5007	2.8142	2.4695	3.8270	2.5444	3.6914
H6	2.2002	3.1055	2.5470	2.5300	1.1056		1.8141	2.1342	2.7944	2.2401	3.7503	2.8559	4.0451
H7	2.2031	2.5308	2.5536	3.1074	1.1047	1.8141		2.1326	2.7585	2.2941	3.7054	2.8128	3.9829
O8	2.4263	2.6618	3.3997	2.6582	1.5007	2.1342	2.1326		2.3989	2.6348	3.3076	1.4231	2.3248
N9	4.3197	4.7117	4.9638	4.7288	2.8142	2.7944	2.7585	2.3989		1.0103	1.0130	1.4036	2.3503
H10	4.0094	4.5436	4.4554	4.5150	2.4695	2.2401	2.2941	2.6348	1.0103		1.7437	2.1399	3.2668
H11	5.3299	5.6885	5.9710	5.7133	3.8270	3.7503	3.7054	3.3076	1.0130	1.7437		2.0671	2.5635
C12	3.7872	4.0099	4.6706	4.0344	2.5444	2.8559	2.8128	1.4231	1.4036	2.1399	2.0671		1.2593
O13	4.7410	4.8044	5.7196	4.8487	3.6914	4.0451	3.9829	2.3248	2.3503	3.2668	2.5635	1.2593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.228	C1	C5	H7	111.514
C1	C5	O8	105.681	H2	C1	H3	109.044
H2	C1	H4	108.937	H2	C1	C5	110.038
H3	C1	H4	109.020	H3	C1	C5	109.708
H4	C1	C5	110.067	C5	O8	C12	120.951
H6	C5	H7	110.325	H6	C5	O8	109.007
H7	C5	O8	108.931	O8	C12	N9	116.133
O8	C12	O13	120.028	N9	C12	O13	123.838
H10	N9	H11	119.043	H10	N9	C12	124.061
H11	N9	C12	116.677

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)