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	hartrees
Energy at 0K	-285.137649
Energy at 298.15K	-285.145368
HF Energy	-285.137649
Nuclear repulsion energy	217.980192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3038	6.82
2	A'	2983	2951	7.07
3	A'	2874	2842	52.69
4	A'	2868	2837	21.63
5	A'	2331	2306	1.34
6	A'	1452	1436	8.55
7	A'	1424	1408	1.37
8	A'	1411	1396	9.53
9	A'	1381	1366	9.69
10	A'	1336	1321	21.60
11	A'	1309	1295	28.81
12	A'	1183	1170	208.38
13	A'	1127	1115	16.91
14	A'	1064	1053	25.13
15	A'	958	948	0.82
16	A'	891	881	3.99
17	A'	552	546	1.05
18	A'	420	415	0.90
19	A'	296	292	2.08
20	A'	129	127	3.54
21	A"	3067	3033	8.56
22	A"	2904	2872	19.19
23	A"	2883	2852	40.99
24	A"	1403	1388	9.89
25	A"	1242	1228	2.49
26	A"	1198	1185	5.89
27	A"	1137	1125	6.89
28	A"	979	968	0.22
29	A"	792	783	1.82
30	A"	369	365	0.99
31	A"	240	237	0.15
32	A"	122	121	5.55
33	A"	80	79	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.104	2.449	0.000
C2	-1.273	0.967	0.000
O3	0.000	0.375	0.000
C4	-0.100	-1.010	0.000
C5	1.214	-1.606	0.000
N6	2.250	-2.114	0.000
H7	-2.082	2.948	0.000
H8	-0.548	2.773	0.890
H9	-0.548	2.773	-0.890
H10	-1.841	0.628	-0.892
H11	-1.841	0.628	0.892
H12	-0.655	-1.378	-0.891
H13	-0.655	-1.378	0.891

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.4917	2.3500	3.6016	4.6711	5.6632	1.0981	1.0983	1.0983	2.1579	2.1579	3.9554	3.9554
C2	1.4917		1.4042	2.2986	3.5787	4.6804	2.1399	2.1400	2.1400	1.1108	1.1108	2.5840	2.5840
O3	2.3500	1.4042		1.3879	2.3232	3.3550	3.3103	2.6163	2.6163	2.0617	2.0617	2.0727	2.0727
C4	3.6016	2.2986	1.3879		1.4429	2.5966	4.4264	3.9118	3.9118	2.5515	2.5515	1.1126	1.1126
C5	4.6711	3.5787	2.3232	1.4429		1.1540	5.6219	4.8037	4.8037	3.8886	3.8886	2.0830	2.0830
N6	5.6632	4.6804	3.3550	2.5966	1.1540		6.6628	5.7013	5.7013	5.0054	5.0054	3.1266	3.1266
H7	1.0981	2.1399	3.3103	4.4264	5.6219	6.6628		1.7823	1.7823	2.4975	2.4975	4.6420	4.6420
H8	1.0983	2.1400	2.6163	3.9118	4.8037	5.7013	1.7823		1.7801	3.0742	2.5049	4.5186	4.1529
H9	1.0983	2.1400	2.6163	3.9118	4.8037	5.7013	1.7823	1.7801		2.5049	3.0742	4.1529	4.5186
H10	2.1579	1.1108	2.0617	2.5515	3.8886	5.0054	2.4975	3.0742	2.5049		1.7843	2.3307	2.9345
H11	2.1579	1.1108	2.0617	2.5515	3.8886	5.0054	2.4975	2.5049	3.0742	1.7843		2.9345	2.3307
H12	3.9554	2.5840	2.0727	1.1126	2.0830	3.1266	4.6420	4.5186	4.1529	2.3307	2.9345		1.7817
H13	3.9554	2.5840	2.0727	1.1126	2.0830	3.1266	4.6420	4.1529	4.5186	2.9345	2.3307	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.448	C1	C2	H10	111.186
C1	C2	H11	111.186	C2	C1	H7	110.516
C2	C1	H8	110.513	C2	C1	H9	110.513
C2	O3	C4	110.826	O3	C2	H10	109.571
O3	C2	H11	109.571	O3	C4	C5	110.295
O3	C4	H12	111.502	O3	C4	H13	111.502
C4	C5	N6	178.329	C5	C4	H12	108.501
C5	C4	H13	108.501	H7	C1	H8	108.479
H7	C1	H9	108.479	H8	C1	H9	108.267
H10	C2	H11	106.861	H12	C4	H13	106.390

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: LSDA/cc-pVTZ

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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All results from a given calculation for C4H7NO (Ethoxyacetonitrile)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)