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	hartrees
Energy at 0K	-61.473963
Energy at 298.15K	-61.483307
Nuclear repulsion energy	136.626346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4033	3635	63.21
2	A	3876	3494	59.67
3	A	3339	3010	85.37
4	A	3315	2988	67.68
5	A	3293	2969	42.08
6	A	3240	2921	51.75
7	A	3225	2907	50.71
8	A	1842	1660	659.23
9	A	1793	1616	227.10
10	A	1663	1499	5.36
11	A	1636	1474	6.10
12	A	1617	1458	6.88
13	A	1573	1418	14.37
14	A	1545	1393	31.88
15	A	1455	1312	508.74
16	A	1417	1277	0.16
17	A	1284	1158	11.06
18	A	1246	1123	13.57
19	A	1196	1078	156.53
20	A	1192	1075	23.18
21	A	1065	960	13.29
22	A	911	821	0.08
23	A	896	807	16.02
24	A	826	744	149.69
25	A	638	575	253.21
26	A	599	540	6.56
27	A	575	519	21.73
28	A	462	416	107.19
29	A	388	349	3.01
30	A	255	230	0.58
31	A	210	190	4.00
32	A	99	90	0.12
33	A	76	69	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.568	-0.253	-0.000
H2	-2.638	-0.885	0.882
H3	-3.402	0.449	0.000
H4	-2.637	-0.885	-0.882
C5	-1.241	0.509	0.000
H6	-1.144	1.129	-0.889
H7	-1.144	1.128	0.890
O8	-0.187	-0.497	-0.000
N9	1.510	1.108	-0.000
H10	0.867	1.865	-0.000
H11	2.488	1.304	0.000
C12	1.147	-0.222	-0.000
O13	1.972	-1.132	0.000

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0871	1.0905	1.0871	1.5297	2.1744	2.1743	2.3932	4.2989	4.0351	5.2896	3.7151	4.6235
H2	1.0871		1.7725	1.7640	2.1609	3.0699	2.5071	2.6332	4.6854	4.5411	5.6423	3.9424	4.6991
H3	1.0905	1.7725		1.7725	2.1614	2.5199	2.5199	3.3512	4.9559	4.4972	5.9510	4.5983	5.6012
H4	1.0871	1.7640	1.7725		2.1609	2.5070	3.0698	2.6331	4.6850	4.5407	5.6421	3.9423	4.6992
C5	1.5297	2.1609	2.1614	2.1609		1.0889	1.0889	1.4568	2.8158	2.5066	3.8126	2.4977	3.6075
H6	2.1744	3.0699	2.5199	2.5070	1.0889		1.7793	2.0859	2.7993	2.3185	3.7431	2.8048	3.9513
H7	2.1743	2.5071	2.5199	3.0698	1.0889	1.7793		2.0860	2.7998	2.3193	3.7434	2.8049	3.9512
O8	2.3932	2.6332	3.3512	2.6331	1.4568	2.0859	2.0860		2.3355	2.5863	3.2242	1.3622	2.2501
N9	4.2989	4.6854	4.9559	4.6850	2.8158	2.7993	2.7998	2.3355		0.9939	0.9969	1.3782	2.2869
H10	4.0351	4.5411	4.4972	4.5407	2.5066	2.3185	2.3193	2.5863	0.9939		1.7153	2.1059	3.1945
H11	5.2896	5.6423	5.9510	5.6421	3.8126	3.7431	3.7434	3.2242	0.9969	1.7153		2.0308	2.4901
C12	3.7151	3.9424	4.5983	3.9423	2.4977	2.8048	2.8049	1.3622	1.3782	2.1059	2.0308		1.2280
O13	4.6235	4.6991	5.6012	4.6992	3.6075	3.9513	3.9512	2.2501	2.2869	3.1945	2.4901	1.2280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.158	C1	C5	H7	111.155
C1	C5	O8	106.488	H2	C1	H3	108.975
H2	C1	H4	108.449	H2	C1	C5	110.189
H3	C1	H4	108.974	H3	C1	C5	110.031
H4	C1	C5	110.186	C5	O8	C12	124.713
H6	C5	H7	109.576	H6	C5	O8	109.189
H7	C5	O8	109.197	O8	C12	N9	116.910
O8	C12	O13	120.517	N9	C12	O13	122.574
H10	N9	H11	118.998	H10	N9	C12	124.387
H11	N9	C12	116.615

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: HF/CEP-31G

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	-0.186
2	H	0.126
3	H	0.101
4	H	0.126
5	C	-0.118
6	H	0.122
7	H	0.122
8	O	-0.327
9	N	-0.613
10	H	0.375
11	H	0.389
12	C	0.135
13	O	-0.250

	x	y	z	Total
	-3.145	6.111	0.001	6.873
CHELPG
AIM
ESP

	x	y	z
x	7.428	-0.553	0.000
y	-0.553	6.183	-0.000
z	0.000	-0.000	4.289

<r²>	160.419
(<r²>)^1/2	12.666

All results from a given calculation for NH2COOC2H5 (Urethane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)