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	hartrees
Energy at 0K	-323.021301
Energy at 298.15K	-323.030635
HF Energy	-321.944622
Nuclear repulsion energy	246.791785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3567	34.17
2	A	3646	3453	27.54
3	A	3202	3033	18.43
4	A	3189	3020	17.23
5	A	3138	2972	18.89
6	A	3097	2933	13.00
7	A	3061	2899	40.34
8	A	1874	1775	478.37
9	A	1703	1613	132.71
10	A	1569	1486	2.10
11	A	1541	1459	4.49
12	A	1523	1443	8.78
13	A	1467	1389	9.84
14	A	1438	1362	29.97
15	A	1369	1297	366.68
16	A	1344	1272	2.81
17	A	1210	1146	5.33
18	A	1183	1121	17.74
19	A	1142	1082	152.05
20	A	1126	1066	21.21
21	A	1012	959	19.32
22	A	877	830	20.13
23	A	858	813	1.02
24	A	790	748	50.18
25	A	602	570	172.60
26	A	580	549	21.56
27	A	559	529	3.33
28	A	451	427	72.21
29	A	391	370	4.26
30	A	276	262	0.83
31	A	227	215	1.89
32	A	112	106	0.37
33	A	96	91	2.93

Atom	x (Å)	y (Å)	z (Å)
C1	2.541	-0.248	0.067
H2	2.696	-0.858	-0.824
H3	3.361	0.469	0.148
H4	2.557	-0.900	0.941
C5	1.218	0.477	-0.017
H6	1.041	1.080	0.879
H7	1.200	1.134	-0.896
O8	0.203	-0.524	-0.135
N9	-1.374	1.166	0.091
H10	-0.769	1.823	-0.371
H11	-2.357	1.368	0.005
C12	-1.108	-0.187	-0.014
O13	-1.954	-1.043	0.044

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0905	1.0924	1.0903	1.5116	2.1616	2.1526	2.3629	4.1629	3.9295	5.1578	3.6503	4.5651
H2	1.0905		1.7744	1.7702	2.1495	3.0647	2.4916	2.6075	4.6366	4.4049	5.5829	3.9462	4.7339
H3	1.0924	1.7744		1.7745	2.1498	2.5077	2.4899	3.3226	4.7866	4.3777	5.7897	4.5198	5.5272
H4	1.0903	1.7702	1.7745		2.1466	2.4944	3.0578	2.6156	4.5218	4.4946	5.4921	3.8540	4.6019
C5	1.5116	2.1495	2.1498	2.1466		1.0936	1.0976	1.4305	2.6839	2.4259	3.6836	2.4185	3.5179
H6	2.1616	3.0647	2.5077	2.4944	1.0936		1.7829	2.0747	2.5423	2.3221	3.5203	2.6500	3.7652
H7	2.1526	2.4916	2.4899	3.0578	1.0976	1.7829		2.0788	2.7576	2.1524	3.6772	2.8019	3.9464
O8	2.3629	2.6075	3.3226	2.6156	1.4305	2.0747	2.0788		2.3226	2.5515	3.1859	1.3589	2.2260
N9	4.1629	4.6366	4.7866	4.5218	2.6839	2.5423	2.7576	2.3226		1.0052	1.0066	1.3830	2.2842
H10	3.9295	4.4049	4.3777	4.4946	2.4259	2.3221	2.1524	2.5515	1.0052		1.6935	2.0694	3.1288
H11	5.1578	5.5829	5.7897	5.4921	3.6836	3.5203	3.6772	3.1859	1.0066	1.6935		1.9943	2.4441
C12	3.6503	3.9462	4.5198	3.8540	2.4185	2.6500	2.8019	1.3589	1.3830	2.0694	1.9943		1.2050
O13	4.5651	4.7339	5.5272	4.6019	3.5179	3.7652	3.9464	2.2260	2.2842	3.1288	2.4441	1.2050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.128	C1	C5	H7	110.168
C1	C5	O8	106.832	H2	C1	H3	108.751
H2	C1	H4	108.536	H2	C1	C5	110.346
H3	C1	H4	108.778	H3	C1	C5	110.255
H4	C1	C5	110.130	C5	O8	C12	120.216
H6	C5	H7	108.918	H6	C5	O8	109.842
H7	C5	O8	109.936	O8	C12	N9	115.792
O8	C12	O13	120.387	N9	C12	O13	123.765
H10	N9	H11	114.663	H10	N9	C12	119.269
H11	N9	C12	112.180

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)