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	hartrees
Energy at 0K	-61.485938
Energy at 298.15K	-61.495282
Nuclear repulsion energy	136.875366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3994	3645	48.90
2	A	3837	3501	49.49
3	A	3281	2994	53.23
4	A	3258	2972	45.96
5	A	3228	2946	33.20
6	A	3173	2896	35.51
7	A	3160	2883	41.00
8	A	1840	1679	615.47
9	A	1794	1637	278.71
10	A	1665	1520	4.85
11	A	1636	1493	5.57
12	A	1619	1478	6.68
13	A	1568	1431	12.02
14	A	1540	1405	34.18
15	A	1452	1325	502.32
16	A	1414	1290	0.63
17	A	1283	1171	9.38
18	A	1244	1135	12.56
19	A	1196	1091	164.68
20	A	1187	1083	27.73
21	A	1060	967	13.00
22	A	909	829	0.05
23	A	893	814	15.83
24	A	818	746	115.95
25	A	613	560	194.84
26	A	596	544	7.06
27	A	574	524	19.55
28	A	448	409	140.02
29	A	388	354	2.36
30	A	253	231	0.32
31	A	212	193	3.99
32	A	94	86	0.20
33	A	72	66	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.564	-0.253	0.000
H2	-2.636	-0.882	0.880
H3	-3.394	0.448	0.000
H4	-2.637	-0.883	-0.878
C5	-1.242	0.506	-0.000
H6	-1.148	1.126	-0.888
H7	-1.148	1.126	0.887
O8	-0.186	-0.495	-0.000
N9	1.510	1.105	-0.000
H10	0.867	1.857	0.001
H11	2.482	1.302	0.001
C12	1.147	-0.220	-0.000
O13	1.969	-1.130	0.000

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0834	1.0866	1.0834	1.5247	2.1669	2.1668	2.3902	4.2939	4.0279	5.2804	3.7113	4.6171
H2	1.0834		1.7654	1.7579	2.1555	3.0612	2.5000	2.6322	4.6809	4.5329	5.6340	3.9404	4.6952
H3	1.0866	1.7654		1.7654	2.1529	2.5085	2.5085	3.3437	4.9474	4.4878	5.9380	4.5902	5.5906
H4	1.0834	1.7579	1.7654		2.1554	2.5001	3.0611	2.6320	4.6811	4.5339	5.6348	3.9406	4.6954
C5	1.5247	2.1555	2.1529	2.1554		1.0866	1.0866	1.4550	2.8158	2.5044	3.8082	2.4972	3.6040
H6	2.1669	3.0612	2.5085	2.5001	1.0866		1.7750	2.0832	2.8021	2.3207	3.7418	2.8052	3.9492
H7	2.1668	2.5000	2.5085	3.0611	1.0866	1.7750		2.0834	2.8015	2.3187	3.7405	2.8048	3.9488
O8	2.3902	2.6322	3.3437	2.6320	1.4550	2.0832	2.0834		2.3310	2.5770	3.2169	1.3612	2.2469
N9	4.2939	4.6809	4.9474	4.6811	2.8158	2.8021	2.8015	2.3310		0.9898	0.9925	1.3738	2.2818
H10	4.0279	4.5329	4.4878	4.5339	2.5044	2.3207	2.3187	2.5770	0.9898		1.7083	2.0967	3.1846
H11	5.2804	5.6340	5.9380	5.6348	3.8082	3.7418	3.7405	3.2169	0.9925	1.7083		2.0249	2.4859
C12	3.7113	3.9404	4.5902	3.9406	2.4972	2.8052	2.8048	1.3612	1.3738	2.0967	2.0249		1.2262
O13	4.6171	4.6952	5.5906	4.6954	3.6040	3.9492	3.9488	2.2469	2.2818	3.1846	2.4859	1.2262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.052	C1	C5	H7	111.045
C1	C5	O8	106.652	H2	C1	H3	108.883
H2	C1	H4	108.446	H2	C1	C5	110.331
H3	C1	H4	108.880	H3	C1	C5	109.935
H4	C1	C5	110.324	C5	O8	C12	124.897
H6	C5	H7	109.524	H6	C5	O8	109.245
H7	C5	O8	109.255	O8	C12	N9	116.923
O8	C12	O13	120.460	N9	C12	O13	122.616
H10	N9	H11	119.033	H10	N9	C12	124.205
H11	N9	C12	116.761

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.446
2	H	0.171
3	H	0.143
4	H	0.171
5	C	-0.056
6	H	0.142
7	H	0.142
8	O	-0.355
9	N	-0.690
10	H	0.361
11	H	0.373
12	C	0.355
13	O	-0.312

	x	y	z	Total
	-3.068	5.921	0.006	6.669
CHELPG
AIM
ESP

	x	y	z
x	7.745	-0.597	0.000
y	-0.597	6.600	-0.000
z	0.000	-0.000	4.855

<r²>	160.041
(<r²>)^1/2	12.651

All results from a given calculation for NH2COOC2H5 (Urethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)