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	hartrees
Energy at 0K	-286.053300
Energy at 298.15K	-286.060964
HF Energy	-284.925548
Nuclear repulsion energy	215.908645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3137	2999
2	A'	3057	2923
3	A'	3012	2879
4	A'	2997	2865
5	A'	2312	2210
6	A'	1552	1483
7	A'	1523	1456
8	A'	1518	1451
9	A'	1469	1404
10	A'	1431	1368
11	A'	1410	1348
12	A'	1171	1119
13	A'	1162	1111
14	A'	1061	1014
15	A'	958	916
16	A'	909	869
17	A'	546	522
18	A'	424	405
19	A'	296	283
20	A'	131	125
21	A"	3147	3009
22	A"	3047	2913
23	A"	3034	2901
24	A"	1495	1429
25	A"	1310	1252
26	A"	1267	1211
27	A"	1203	1150
28	A"	1039	993
29	A"	835	798
30	A"	332	317
31	A"	246	235
32	A"	104	99
33	A"	46	44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.064	2.498	0.000
C2	-1.280	0.998	0.000
O3	0.000	0.368	0.000
C4	-0.137	-1.035	0.000
C5	1.203	-1.645	0.000
N6	2.249	-2.150	0.000
H7	-2.028	3.012	0.000
H8	-0.506	2.801	0.887
H9	-0.506	2.801	-0.887
H10	-1.844	0.685	-0.890
H11	-1.844	0.685	0.890
H12	-0.676	-1.388	-0.890
H13	-0.676	-1.388	0.890

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5150	2.3812	3.6525	4.7222	5.7075	1.0928	1.0913	1.0913	2.1647	2.1647	4.0049	4.0049
C2	1.5150		1.4266	2.3325	3.6260	4.7286	2.1483	2.1528	2.1528	1.0993	1.0993	2.6169	2.6169
O3	2.3812	1.4266		1.4091	2.3443	3.3755	3.3326	2.6387	2.6387	2.0720	2.0720	2.0806	2.0806
C4	3.6525	2.3325	1.4091		1.4718	2.6330	4.4671	3.9540	3.9540	2.5819	2.5819	1.0985	1.0985
C5	4.7222	3.6260	2.3443	1.4718		1.1614	5.6678	4.8441	4.8441	3.9376	3.9376	2.0948	2.0948
N6	5.7075	4.7286	3.3755	2.6330	1.1614		6.7034	5.7341	5.7341	5.0577	5.0577	3.1506	3.1506
H7	1.0928	2.1483	3.3326	4.4671	5.6678	6.7034		1.7750	1.7750	2.4978	2.4978	4.6878	4.6878
H8	1.0913	2.1528	2.6387	3.9540	4.8441	5.7341	1.7750		1.7749	3.0699	2.5031	4.5527	4.1916
H9	1.0913	2.1528	2.6387	3.9540	4.8441	5.7341	1.7750	1.7749		2.5031	3.0699	4.1916	4.5527
H10	2.1647	1.0993	2.0720	2.5819	3.9376	5.0577	2.4978	3.0699	2.5031		1.7797	2.3793	2.9711
H11	2.1647	1.0993	2.0720	2.5819	3.9376	5.0577	2.4978	2.5031	3.0699	1.7797		2.9711	2.3793
H12	4.0049	2.6169	2.0806	1.0985	2.0948	3.1506	4.6878	4.5527	4.1916	2.3793	2.9711		1.7792
H13	4.0049	2.6169	2.0806	1.0985	2.0948	3.1506	4.6878	4.1916	4.5527	2.9711	2.3793	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.058	C1	C2	H10	110.789
C1	C2	H11	110.789	C2	C1	H7	109.876
C2	C1	H8	110.323	C2	C1	H9	110.323
C2	O3	C4	110.679	O3	C2	H10	109.551
O3	C2	H11	109.551	O3	C4	C5	108.910
O3	C4	H12	111.539	O3	C4	H13	111.539
C4	C5	N6	178.683	C5	C4	H12	108.296
C5	C4	H13	108.296	H7	C1	H8	108.726
H7	C1	H9	108.726	H8	C1	H9	108.824
H10	C2	H11	108.091	H12	C4	H13	108.156

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)