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	hartrees
Energy at 0K	-323.695057
Energy at 298.15K	-323.704241
Nuclear repulsion energy	247.495895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3591	32.57
2	A	3630	3479	21.20
3	A	3154	3024	26.27
4	A	3145	3015	24.76
5	A	3072	2945	28.04
6	A	3068	2941	16.82
7	A	3012	2888	47.56
8	A	1878	1801	546.31
9	A	1671	1602	141.53
10	A	1538	1475	1.27
11	A	1514	1452	4.22
12	A	1496	1434	8.22
13	A	1443	1383	9.37
14	A	1410	1352	40.31
15	A	1354	1298	371.58
16	A	1327	1272	1.01
17	A	1186	1137	5.52
18	A	1169	1121	35.06
19	A	1126	1079	102.43
20	A	1105	1059	41.02
21	A	1003	962	16.76
22	A	872	835	14.11
23	A	845	810	0.73
24	A	782	750	33.06
25	A	578	554	20.27
26	A	556	533	4.10
27	A	543	521	72.54
28	A	393	376	41.09
29	A	367	352	126.10
30	A	265	254	0.41
31	A	223	213	3.04
32	A	120	115	0.32
33	A	96	92	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	2.541	-0.245	0.054
H2	2.687	-0.866	-0.830
H3	3.360	0.473	0.113
H4	2.578	-0.889	0.932
C5	1.217	0.471	-0.017
H6	1.056	1.089	0.872
H7	1.183	1.120	-0.902
O8	0.199	-0.520	-0.104
N9	-1.379	1.156	0.075
H10	-0.743	1.842	-0.292
H11	-2.355	1.381	-0.002
C12	-1.109	-0.187	-0.011
O13	-1.950	-1.040	0.032

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0898	1.0911	1.0897	1.5070	2.1576	2.1492	2.3627	4.1628	3.9067	5.1593	3.6505	4.5605
H2	1.0898		1.7705	1.7662	2.1477	3.0629	2.4921	2.6148	4.6307	4.4037	5.5823	3.9425	4.7201
H3	1.0911	1.7705		1.7707	2.1470	2.5028	2.4876	3.3201	4.7882	4.3449	5.7881	4.5189	5.5220
H4	1.0897	1.7662	1.7707		2.1455	2.4964	3.0567	2.6210	4.5360	4.4709	5.5103	3.8698	4.6192
C5	1.5070	2.1477	2.1470	2.1455		1.0942	1.0976	1.4235	2.6863	2.4078	3.6862	2.4171	3.5096
H6	2.1576	3.0629	2.5028	2.4964	1.0942		1.7785	2.0681	2.5632	2.2716	3.5336	2.6635	3.7784
H7	2.1492	2.4921	2.4876	3.0567	1.0976	1.7785		2.0717	2.7421	2.1460	3.6600	2.7844	3.9184
O8	2.3627	2.6148	3.3201	2.6210	1.4235	2.0681	2.0717		2.3092	2.5501	3.1859	1.3531	2.2156
N9	4.1628	4.6307	4.7882	4.5360	2.6863	2.5632	2.7421	2.3092		1.0044	1.0047	1.3725	2.2698
H10	3.9067	4.4037	4.3449	4.4709	2.4078	2.2716	2.1460	2.5501	1.0044		1.7010	2.0804	3.1413
H11	5.1593	5.5823	5.7881	5.5103	3.6862	3.5336	3.6600	3.1859	1.0047	1.7010		2.0031	2.4554
C12	3.6505	3.9425	4.5189	3.8698	2.4171	2.6635	2.7844	1.3531	1.3725	2.0804	2.0031		1.1991
O13	4.5605	4.7201	5.5220	4.6192	3.5096	3.7784	3.9184	2.2156	2.2698	3.1413	2.4554	1.1991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.092	C1	C5	H7	110.220
C1	C5	O8	107.432	H2	C1	H3	108.541
H2	C1	H4	108.261	H2	C1	C5	110.566
H3	C1	H4	108.573	H3	C1	C5	110.434
H4	C1	C5	110.399	C5	O8	C12	121.023
H6	C5	H7	108.475	H6	C5	O8	109.765
H7	C5	O8	109.853	O8	C12	N9	115.824
O8	C12	O13	120.359	N9	C12	O13	123.779
H10	N9	H11	115.696	H10	N9	C12	121.378
H11	N9	C12	113.939

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: B1B95/6-311G*

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: B1B95/6-311G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)