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	hartrees
Energy at 0K	-323.737791
Energy at 298.15K	-323.746901
HF Energy	-323.737791
Nuclear repulsion energy	247.154941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3598	45.10
2	A	3643	3484	30.88
3	A	3155	3018	22.51
4	A	3146	3009	21.22
5	A	3076	2942	25.35
6	A	3065	2932	14.74
7	A	3013	2882	42.47
8	A	1885	1803	567.25
9	A	1649	1577	149.14
10	A	1525	1459	1.33
11	A	1502	1437	3.31
12	A	1487	1422	7.84
13	A	1448	1385	10.29
14	A	1414	1352	51.02
15	A	1363	1304	372.98
16	A	1323	1265	1.66
17	A	1184	1132	5.67
18	A	1174	1123	51.46
19	A	1132	1083	94.28
20	A	1109	1060	28.00
21	A	1007	963	12.29
22	A	879	841	13.14
23	A	847	810	0.38
24	A	789	754	32.56
25	A	588	563	12.84
26	A	567	542	3.58
27	A	529	506	66.43
28	A	393	376	9.27
29	A	356	340	155.79
30	A	253	242	0.44
31	A	222	213	2.78
32	A	92	88	2.03
33	A	81	77	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	2.553	-0.243	0.045
H2	2.693	-0.832	-0.863
H3	3.373	0.475	0.126
H4	2.588	-0.915	0.903
C5	1.226	0.482	0.003
H6	1.068	1.067	0.914
H7	1.192	1.157	-0.863
O8	0.202	-0.508	-0.115
N9	-1.413	1.153	0.076
H10	-0.810	1.830	-0.360
H11	-2.398	1.334	-0.022
C12	-1.107	-0.187	0.005
O13	-1.935	-1.055	0.030

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0911	1.0927	1.0910	1.5127	2.1628	2.1531	2.3712	4.2046	3.9714	5.1971	3.6604	4.5608
H2	1.0911		1.7746	1.7713	2.1514	3.0668	2.4919	2.6206	4.6561	4.4284	5.5967	3.9505	4.7186
H3	1.0927	1.7746		1.7754	2.1499	2.5064	2.4895	3.3282	4.8336	4.4234	5.8366	4.5297	5.5245
H4	1.0910	1.7713	1.7754		2.1491	2.4982	3.0597	2.6260	4.5794	4.5475	5.5484	3.8716	4.6087
C5	1.5127	2.1514	2.1499	2.1491		1.0943	1.0981	1.4297	2.7240	2.4687	3.7236	2.4272	3.5151
H6	2.1628	3.0668	2.5064	2.4982	1.0943		1.7832	2.0717	2.6202	2.3942	3.6007	2.6703	3.7818
H7	2.1531	2.4919	2.4895	3.0597	1.0981	1.7832		2.0768	2.7689	2.1712	3.6919	2.8009	3.9330
O8	2.3712	2.6206	3.3282	2.6260	1.4297	2.0717	2.0768		2.3250	2.5600	3.1888	1.3531	2.2106
N9	4.2046	4.6561	4.8336	4.5794	2.7240	2.6202	2.7689	2.3250		1.0059	1.0069	1.3766	2.2690
H10	3.9714	4.4284	4.4234	4.5475	2.4687	2.3942	2.1712	2.5600	1.0059		1.6980	2.0716	3.1209
H11	5.1971	5.5967	5.8366	5.5484	3.7236	3.6007	3.6919	3.1888	1.0069	1.6980		1.9962	2.4342
C12	3.6604	3.9505	4.5297	3.8716	2.4272	2.6703	2.8009	1.3531	1.3766	2.0716	1.9962		1.1995
O13	4.5608	4.7186	5.5245	4.6087	3.5151	3.7818	3.9330	2.2106	2.2690	3.1209	2.4342	1.1995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.105	C1	C5	H7	110.103
C1	C5	O8	107.353	H2	C1	H3	108.706
H2	C1	H4	108.542	H2	C1	C5	110.386
H3	C1	H4	108.783	H3	C1	C5	110.170
H4	C1	C5	110.207	C5	O8	C12	121.403
H6	C5	H7	108.855	H6	C5	O8	109.617
H7	C5	O8	109.792	O8	C12	N9	116.794
O8	C12	O13	119.876	N9	C12	O13	123.325
H10	N9	H11	115.043	H10	N9	C12	119.993
H11	N9	C12	112.832

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: wB97X-D/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	-0.323
2	H	0.135
3	H	0.118
4	H	0.137
5	C	-0.090
6	H	0.130
7	H	0.109
8	O	-0.310
9	N	-0.492
10	H	0.232
11	H	0.249
12	C	0.472
13	O	-0.366

	x	y	z	Total
	2.376	4.436	-0.559	5.063
CHELPG
AIM
ESP

	x	y	z
x	8.583	0.302	-0.087
y	0.302	6.981	-0.062
z	-0.087	-0.062	5.120

<r²>	190.815
(<r²>)^1/2	13.814

All results from a given calculation for NH2COOC2H5 (Urethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)