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	hartrees
Energy at 0K	-322.177178
Energy at 298.15K	-322.185901
Nuclear repulsion energy	248.112363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3621	76.29
2	A	3530	3493	27.01
3	A	3075	3043	8.51
4	A	3073	3041	8.59
5	A	2987	2956	8.71
6	A	2943	2913	28.23
7	A	2901	2871	32.71
8	A	1854	1835	492.14
9	A	1542	1526	215.37
10	A	1452	1437	5.65
11	A	1429	1415	7.45
12	A	1405	1390	11.20
13	A	1377	1362	30.75
14	A	1341	1327	125.97
15	A	1305	1291	180.35
16	A	1256	1243	0.25
17	A	1138	1126	77.27
18	A	1136	1124	5.50
19	A	1114	1102	40.94
20	A	1046	1035	5.57
21	A	982	972	22.45
22	A	854	845	14.22
23	A	815	807	1.66
24	A	760	752	15.98
25	A	564	558	8.05
26	A	540	535	2.86
27	A	527	521	16.88
28	A	388	384	0.42
29	A	261	258	4.13
30	A	222	220	4.37
31	A	170	168	135.78
32	A	117	116	1.96
33	A	39	38	43.97

Atom	x (Å)	y (Å)	z (Å)
C1	2.528	-0.244	0.010
H2	2.633	-0.882	-0.880
H3	3.353	0.484	0.019
H4	2.614	-0.883	0.901
C5	1.204	0.453	-0.004
H6	1.092	1.093	0.895
H7	1.116	1.097	-0.903
O8	0.197	-0.539	-0.018
N9	-1.347	1.158	0.016
H10	-0.624	1.865	-0.058
H11	-2.321	1.438	-0.007
C12	-1.109	-0.180	-0.002
O13	-1.969	-1.022	0.005

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0996	1.1002	1.0996	1.4958	2.1525	2.1503	2.3490	4.1207	3.7931	5.1326	3.6369	4.5631
H2	1.0996		1.7862	1.7811	2.1427	3.0701	2.4931	2.6065	4.5613	4.3394	5.5400	3.9070	4.6884
H3	1.1002	1.7862		1.7861	2.1486	2.4997	2.4955	3.3169	4.7479	4.2105	5.7536	4.5104	5.5302
H4	1.0996	1.7811	1.7861		2.1421	2.4939	3.0684	2.6082	4.5427	4.3536	5.5286	3.8942	4.6713
C5	1.4958	2.1427	2.1486	2.1421		1.1088	1.1097	1.4133	2.6472	2.3109	3.6607	2.3981	3.4991
H6	2.1525	3.0701	2.4997	2.4939	1.1088		1.7982	2.0727	2.5935	2.1092	3.5470	2.6958	3.8251
H7	2.1503	2.4931	2.4955	3.0684	1.1097	1.7982		2.0740	2.6301	2.0818	3.5688	2.7191	3.8511
O8	2.3490	2.6065	3.3169	2.6082	1.4133	2.0727	2.0740		2.2943	2.5404	3.2018	1.3543	2.2195
N9	4.1207	4.5613	4.7479	4.5427	2.6472	2.5935	2.6301	2.2943		1.0144	1.0139	1.3591	2.2664
H10	3.7931	4.3394	4.2105	4.3536	2.3109	2.1092	2.0818	2.5404	1.0144		1.7506	2.1027	3.1853
H11	5.1326	5.5400	5.7536	5.5286	3.6607	3.5470	3.5688	3.2018	1.0139	1.7506		2.0225	2.4855
C12	3.6369	3.9070	4.5104	3.8942	2.3981	2.6958	2.7191	1.3543	1.3591	2.1027	2.0225		1.2034
O13	4.5631	4.6884	5.5302	4.6713	3.4991	3.8251	3.8511	2.2195	2.2664	3.1853	2.4855	1.2034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.581	C1	C5	H7	110.354
C1	C5	O8	107.663	H2	C1	H3	108.571
H2	C1	H4	108.169	H2	C1	C5	110.356
H3	C1	H4	108.572	H3	C1	C5	110.789
H4	C1	C5	110.312	C5	O8	C12	120.090
H6	C5	H7	108.298	H6	C5	O8	109.946
H7	C5	O8	110.001	O8	C12	N9	115.460
O8	C12	O13	120.282	N9	C12	O13	124.255
H10	N9	H11	119.339	H10	N9	C12	124.087
H11	N9	C12	116.170

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	-0.423
2	H	0.170
3	H	0.151
4	H	0.171
5	C	-0.214
6	H	0.157
7	H	0.152
8	O	-0.255
9	N	-0.501
10	H	0.246
11	H	0.261
12	C	0.406
13	O	-0.323

	x	y	z	Total
	2.406	4.470	-0.128	5.078
CHELPG
AIM
ESP

	x	y	z
x	9.230	0.251	-0.015
y	0.251	7.398	-0.015
z	-0.015	-0.015	5.306

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NH2COOC2H5 (Urethane)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)