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	hartrees
Energy at 0K	-321.777974
Energy at 298.15K	-321.787357
Nuclear repulsion energy	245.045017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4028	3625	68.77
2	A	3876	3488	67.21
3	A	3330	2997	54.61
4	A	3307	2976	47.92
5	A	3280	2951	36.02
6	A	3230	2907	43.92
7	A	3216	2894	41.68
8	A	1863	1676	742.66
9	A	1807	1627	163.69
10	A	1675	1507	5.87
11	A	1649	1484	7.14
12	A	1630	1467	8.19
13	A	1579	1421	10.61
14	A	1554	1399	36.14
15	A	1461	1315	511.30
16	A	1429	1286	0.21
17	A	1292	1163	10.37
18	A	1252	1127	15.58
19	A	1200	1080	167.69
20	A	1196	1076	20.07
21	A	1069	962	13.57
22	A	922	829	0.03
23	A	895	805	17.71
24	A	845	761	161.70
25	A	647	582	242.91
26	A	603	542	7.14
27	A	581	523	19.13
28	A	473	425	100.79
29	A	392	352	2.64
30	A	259	233	0.47
31	A	213	192	3.99
32	A	98	88	0.17
33	A	78	70	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-2.578	-0.266	-0.000
H2	-2.641	-0.896	0.877
H3	-3.418	0.420	0.000
H4	-2.641	-0.896	-0.877
C5	-1.272	0.510	0.000
H6	-1.189	1.130	-0.885
H7	-1.189	1.129	0.885
O8	-0.204	-0.472	-0.000
N9	1.465	1.138	-0.000
H10	0.814	1.883	0.000
H11	2.436	1.348	0.000
C12	1.121	-0.187	-0.000
O13	1.948	-1.081	0.000

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0814	1.0845	1.0814	1.5191	2.1589	2.1589	2.3828	4.2804	4.0158	5.2677	3.7000	4.5993
H2	1.0814		1.7621	1.7535	2.1489	3.0520	2.4920	2.6238	4.6653	4.5197	5.6194	3.9269	4.6756
H3	1.0845	1.7621		1.7621	2.1480	2.5012	2.5011	3.3353	4.9362	4.4782	5.9274	4.5795	5.5725
H4	1.0814	1.7535	1.7621		2.1488	2.4920	3.0519	2.6238	4.6652	4.5196	5.6194	3.9269	4.6756
C5	1.5191	2.1489	2.1480	2.1488		1.0838	1.0838	1.4503	2.8087	2.4977	3.8017	2.4924	3.5918
H6	2.1589	3.0520	2.5012	2.4920	1.0838		1.7703	2.0779	2.7983	2.3161	3.7381	2.8024	3.9388
H7	2.1589	2.4920	2.5011	3.0519	1.0838	1.7703		2.0779	2.7985	2.3162	3.7381	2.8025	3.9388
O8	2.3828	2.6238	3.3353	2.6238	1.4503	2.0779	2.0779		2.3190	2.5654	3.2067	1.3554	2.2372
N9	4.2804	4.6653	4.9362	4.6652	2.8087	2.7983	2.7985	2.3190		0.9899	0.9931	1.3687	2.2703
H10	4.0158	4.5197	4.4782	4.5196	2.4977	2.3161	2.3162	2.5654	0.9899		1.7077	2.0926	3.1734
H11	5.2677	5.6194	5.9274	5.6194	3.8017	3.7381	3.7381	3.2067	0.9931	1.7077		2.0215	2.4776
C12	3.7000	3.9269	4.5795	3.9269	2.4924	2.8024	2.8025	1.3554	1.3687	2.0926	2.0215		1.2180
O13	4.5993	4.6756	5.5725	4.6756	3.5918	3.9388	3.9388	2.2372	2.2703	3.1734	2.4776	1.2180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.972	C1	C5	H7	110.967
C1	C5	O8	106.706	H2	C1	H3	108.892
H2	C1	H4	108.336	H2	C1	C5	110.313
H3	C1	H4	108.891	H3	C1	C5	110.055
H4	C1	C5	110.309	C5	O8	C12	125.296
H6	C5	H7	109.509	H6	C5	O8	109.313
H7	C5	O8	109.313	O8	C12	N9	116.703
O8	C12	O13	120.672	N9	C12	O13	122.625
H10	N9	H11	118.895	H10	N9	C12	124.272
H11	N9	C12	116.833

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: HF/LANL2DZ

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	-0.538
2	H	0.200
3	H	0.163
4	H	0.200
5	C	-0.063
6	H	0.177
7	H	0.177
8	O	-0.475
9	N	-0.843
10	H	0.388
11	H	0.404
12	C	0.640
13	O	-0.429

	x	y	z	Total
	-3.104	5.886	0.001	6.654
CHELPG
AIM
ESP

	x	y	z
x	7.389	-0.577	0.000
y	-0.577	6.200	0.000
z	0.000	0.000	4.293

<r²>	196.225
(<r²>)^1/2	14.008

All results from a given calculation for NH2COOC2H5 (Urethane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)