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	hartrees
Energy at 0K	-317.709205
Energy at 298.15K	-317.718144
Nuclear repulsion energy	242.820035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4135	3376	2.12
2	A	3943	3219	5.76
3	A	3765	3074	0.23
4	A	3761	3071	0.21
5	A	3682	3006	4.38
6	A	3577	2921	0.27
7	A	3563	2909	6.04
8	A	2129	1738	172.72
9	A	1952	1594	28.57
10	A	1835	1499	3.23
11	A	1815	1482	1.68
12	A	1814	1481	3.55
13	A	1732	1415	9.39
14	A	1658	1353	48.13
15	A	1553	1268	224.23
16	A	1511	1234	1.73
17	A	1389	1135	22.39
18	A	1350	1102	11.99
19	A	1324	1081	41.43
20	A	1270	1037	8.47
21	A	1132	924	1.29
22	A	988	807	80.07
23	A	953	778	6.22
24	A	914	746	97.80
25	A	677	553	47.67
26	A	586	478	13.92
27	A	580	474	4.52
28	A	398	325	1.70
29	A	343	280	57.47
30	A	250	204	2.14
31	A	222	181	0.01
32	A	95	78	1.21
33	A	68	56	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	-2.582	-0.213	0.089
H2	-2.606	-0.921	0.911
H3	-3.352	0.536	0.248
H4	-2.794	-0.744	-0.834
C5	-1.201	0.468	0.009
H6	-1.199	1.197	-0.810
H7	-0.990	1.008	0.937
O8	-0.225	-0.564	-0.225
N9	1.385	1.219	0.109
H10	1.013	1.745	-0.693
H11	2.406	1.341	0.121
C12	1.106	-0.203	-0.018
O13	1.961	-1.061	0.085

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0855	1.0859	1.0856	1.5416	2.1697	2.1785	2.4037	4.2173	4.1674	5.2247	3.6898	4.6217
H2	1.0855		1.7665	1.7638	2.1717	3.0703	2.5169	2.6619	4.5985	4.7723	5.5553	3.8931	4.6429
H3	1.0859	1.7665		1.7663	2.1652	2.4884	2.5057	3.3486	4.7878	4.6258	5.8156	4.5269	5.5504
H4	1.0856	1.7638	1.7663		2.1719	2.5122	3.0762	2.6467	4.7124	4.5507	5.6837	4.0215	4.8539
C5	1.5416	2.1717	2.1652	2.1719		1.0964	1.0946	1.4398	2.6946	2.6505	3.7132	2.4031	3.5133
H6	2.1697	3.0703	2.4884	2.5122	1.0964		1.7701	2.0957	2.7426	2.2817	3.7263	2.8108	3.9856
H7	2.1785	2.5169	2.5057	3.0762	1.0946	1.7701		2.0994	2.5235	2.6852	3.5084	2.6021	3.7031
O8	2.4037	2.6619	3.3486	2.6467	1.4398	2.0957	2.0994		2.4252	2.6615	3.2669	1.3947	2.2632
N9	4.2173	4.5985	4.7878	4.7124	2.6946	2.7426	2.5235	2.4252		1.0291	1.0287	1.4543	2.3515
H10	4.1674	4.7723	4.6258	4.5507	2.6505	2.2817	2.6852	2.6615	1.0291		1.6636	2.0639	3.0626
H11	5.2247	5.5553	5.8156	5.6837	3.7132	3.7263	3.5084	3.2669	1.0287	1.6636		2.0232	2.4431
C12	3.6898	3.8931	4.5269	4.0215	2.4031	2.8108	2.6021	1.3947	1.4543	2.0639	2.0232		1.2156
O13	4.6217	4.6429	5.5504	4.8539	3.5133	3.9856	3.7031	2.2632	2.3515	3.0626	2.4431	1.2156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.509	C1	C5	H7	110.306
C1	C5	O8	107.410	H2	C1	H3	108.886
H2	C1	H4	108.666	H2	C1	C5	110.302
H3	C1	H4	108.866	H3	C1	C5	109.769
H4	C1	C5	110.314	C5	O8	C12	115.930
H6	C5	H7	107.779	H6	C5	O8	110.710
H7	C5	O8	111.131	O8	C12	N9	116.681
O8	C12	O13	120.068	N9	C12	O13	123.218
H10	N9	H11	107.885	H10	N9	C12	111.265
H11	N9	C12	107.907

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: HF/STO-3G

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	-0.180
2	H	0.072
3	H	0.067
4	H	0.071
5	C	0.020
6	H	0.053
7	H	0.075
8	O	-0.253
9	N	-0.411
10	H	0.176
11	H	0.185
12	C	0.394
13	O	-0.270

	x	y	z	Total
	-1.056	2.715	-1.024	3.088
CHELPG
AIM
ESP

	x	y	z
x	4.926	-0.468	0.285
y	-0.468	3.674	-0.219
z	0.285	-0.219	2.217

<r²>	193.554
(<r²>)^1/2	13.912

All results from a given calculation for NH2COOC2H5 (Urethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)