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	hartrees
Energy at 0K	-323.187177
Energy at 298.15K	-323.196396
HF Energy	-322.010432
Nuclear repulsion energy	247.205092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3576	53.88
2	A	3630	3454	35.23
3	A	3196	3041	12.95
4	A	3185	3031	12.08
5	A	3123	2972	15.65
6	A	3094	2944	10.74
7	A	3056	2908	33.03
8	A	1835	1746	511.38
9	A	1632	1552	125.12
10	A	1539	1465	2.42
11	A	1517	1444	3.04
12	A	1500	1427	6.49
13	A	1438	1368	7.56
14	A	1412	1343	25.32
15	A	1350	1284	359.38
16	A	1323	1259	2.87
17	A	1189	1131	4.23
18	A	1165	1109	24.36
19	A	1130	1075	116.55
20	A	1101	1047	34.68
21	A	1003	954	19.86
22	A	868	826	15.21
23	A	844	803	0.40
24	A	777	739	23.70
25	A	580	552	24.98
26	A	559	532	3.61
27	A	541	515	83.49
28	A	406	387	109.20
29	A	386	367	12.70
30	A	263	250	0.45
31	A	224	213	2.41
32	A	115	110	0.63
33	A	99	95	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	2.540	-0.247	0.041
H2	2.675	-0.838	-0.861
H3	3.351	0.474	0.113
H4	2.582	-0.910	0.901
C5	1.213	0.470	0.003
H6	1.051	1.055	0.908
H7	1.166	1.136	-0.862
O8	0.199	-0.535	-0.107
N9	-1.359	1.168	0.077
H10	-0.720	1.810	-0.355
H11	-2.333	1.383	-0.054
C12	-1.106	-0.183	0.005
O13	-1.966	-1.030	0.029

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0868	1.0884	1.0866	1.5090	2.1594	2.1490	2.3629	4.1483	3.8751	5.1390	3.6470	4.5730
H2	1.0868		1.7687	1.7655	2.1441	3.0579	2.4857	2.6064	4.6026	4.3357	5.5379	3.9345	4.7296
H3	1.0884	1.7687		1.7691	2.1413	2.5017	2.4829	3.3169	4.7614	4.3101	5.7585	4.5071	5.5263
H4	1.0866	1.7655	1.7691		2.1418	2.4912	3.0503	2.6147	4.5319	4.4593	5.5075	3.8653	4.6326
C5	1.5090	2.1441	2.1413	2.1418		1.0898	1.0932	1.4312	2.6661	2.3791	3.6616	2.4093	3.5147
H6	2.1594	3.0579	2.5017	2.4912	1.0898		1.7761	2.0694	2.5527	2.3033	3.5335	2.6467	3.7713
H7	2.1490	2.4857	2.4829	3.0503	1.0932	1.7761		2.0730	2.6940	2.0656	3.5990	2.7667	3.9107
O8	2.3629	2.6064	3.3169	2.6147	1.4312	2.0694	2.0730		2.3155	2.5305	3.1767	1.3565	2.2249
N9	4.1483	4.6026	4.7614	4.5319	2.6661	2.5527	2.6940	2.3155		1.0035	1.0054	1.3767	2.2809
H10	3.8751	4.3357	4.3101	4.4593	2.3791	2.3033	2.0656	2.5305	1.0035		1.6950	2.0618	3.1250
H11	5.1390	5.5379	5.7585	5.5075	3.6616	3.5335	3.5990	3.1767	1.0054	1.6950		1.9904	2.4429
C12	3.6470	3.9345	4.5071	3.8653	2.4093	2.6467	2.7667	1.3565	1.3767	2.0618	1.9904		1.2068
O13	4.5730	4.7296	5.5263	4.6326	3.5147	3.7713	3.9107	2.2249	2.2809	3.1250	2.4429	1.2068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.368	C1	C5	H7	110.333
C1	C5	O8	106.933	H2	C1	H3	108.810
H2	C1	H4	108.653	H2	C1	C5	110.324
H3	C1	H4	108.859	H3	C1	C5	110.003
H4	C1	C5	110.152	C5	O8	C12	119.570
H6	C5	H7	108.902	H6	C5	O8	109.600
H7	C5	O8	109.680	O8	C12	N9	115.810
O8	C12	O13	120.336	N9	C12	O13	123.853
H10	N9	H11	115.076	H10	N9	C12	119.224
H11	N9	C12	112.417

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)