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	hartrees
Energy at 0K	-285.754873
Energy at 298.15K	-285.762586
HF Energy	-284.825335
Nuclear repulsion energy	214.944030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3014
2	A'	3073	2934
3	A'	3003	2868
4	A'	2998	2862
5	A'	2212	2112
6	A'	1576	1504
7	A'	1548	1478
8	A'	1544	1474
9	A'	1479	1412
10	A'	1444	1378
11	A'	1403	1340
12	A'	1177	1124
13	A'	1167	1114
14	A'	1067	1019
15	A'	963	920
16	A'	913	872
17	A'	542	517
18	A'	426	407
19	A'	294	281
20	A'	129	123
21	A"	3168	3025
22	A"	3041	2904
23	A"	3036	2899
24	A"	1530	1461
25	A"	1318	1258
26	A"	1270	1212
27	A"	1213	1158
28	A"	1053	1005
29	A"	841	803
30	A"	343	328
31	A"	260	248
32	A"	110	105
33	A"	70	67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.965	2.534	0.000
C2	-1.259	1.046	0.000
O3	0.000	0.362	0.000
C4	-0.183	-1.042	0.000
C5	1.149	-1.677	0.000
N6	2.198	-2.218	0.000
H7	-1.900	3.108	0.000
H8	-0.385	2.804	0.890
H9	-0.385	2.804	-0.890
H10	-1.842	0.755	-0.892
H11	-1.842	0.755	0.892
H12	-0.740	-1.380	-0.892
H13	-0.740	-1.380	0.892

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5167	2.3764	3.6599	4.7120	5.7084	1.0975	1.0958	1.0958	2.1749	2.1749	4.0204	4.0204
C2	1.5167		1.4328	2.3486	3.6353	4.7545	2.1589	2.1557	2.1557	1.1047	1.1047	2.6362	2.6362
O3	2.3764	1.4328		1.4155	2.3408	3.3895	3.3390	2.6276	2.6276	2.0842	2.0842	2.0924	2.0924
C4	3.6599	2.3486	1.4155		1.4758	2.6556	4.4904	3.9525	3.9525	2.6032	2.6032	1.1049	1.1049
C5	4.7120	3.6353	2.3408	1.4758		1.1801	5.6739	4.8197	4.8197	3.9572	3.9572	2.1103	2.1103
N6	5.7084	4.7545	3.3895	2.6556	1.1801		6.7201	5.7174	5.7174	5.0949	5.0949	3.1828	3.1828
H7	1.0975	2.1589	3.3390	4.4904	5.6739	6.7201		1.7833	1.7833	2.5165	2.5165	4.7200	4.7200
H8	1.0958	2.1557	2.6276	3.9525	4.8197	5.7174	1.7833		1.7796	3.0818	2.5146	4.5616	4.1992
H9	1.0958	2.1557	2.6276	3.9525	4.8197	5.7174	1.7833	1.7796		2.5146	3.0818	4.1992	4.5616
H10	2.1749	1.1047	2.0842	2.6032	3.9572	5.0949	2.5165	3.0818	2.5146		1.7838	2.4025	2.9924
H11	2.1749	1.1047	2.0842	2.6032	3.9572	5.0949	2.5165	2.5146	3.0818	1.7838		2.9924	2.4025
H12	4.0204	2.6362	2.0924	1.1049	2.1103	3.1828	4.7200	4.5616	4.1992	2.4025	2.9924		1.7839
H13	4.0204	2.6362	2.0924	1.1049	2.1103	3.1828	4.7200	4.1992	4.5616	2.9924	2.4025	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.320	C1	C2	H10	111.154
C1	C2	H11	111.154	C2	C1	H7	110.318
C2	C1	H8	110.161	C2	C1	H9	110.161
C2	O3	C4	111.084	O3	C2	H10	109.769
O3	C2	H11	109.769	O3	C4	C5	108.097
O3	C4	H12	111.648	O3	C4	H13	111.648
C4	C5	N6	178.235	C5	C4	H12	108.863
C5	C4	H13	108.863	H7	C1	H8	108.788
H7	C1	H9	108.788	H8	C1	H9	108.580
H10	C2	H11	107.677	H12	C4	H13	107.659

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP4/6-31G*

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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All results from a given calculation for C4H7NO (Ethoxyacetonitrile)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)