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	hartrees
Energy at 0K	-285.713496
Energy at 298.15K	-285.721313
HF Energy	-284.829348
Nuclear repulsion energy	215.705267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3004	19.47
2	A'	3092	2926	11.96
3	A'	3038	2875	38.13
4	A'	3028	2866	23.85
5	A'	2393	2265	1.87
6	A'	1587	1502	2.33
7	A'	1561	1477	3.11
8	A'	1552	1469	4.29
9	A'	1498	1418	10.38
10	A'	1460	1381	17.35
11	A'	1425	1349	66.77
12	A'	1214	1149	172.87
13	A'	1189	1126	20.39
14	A'	1090	1032	16.79
15	A'	984	931	11.91
16	A'	931	882	3.59
17	A'	559	529	1.04
18	A'	433	410	1.14
19	A'	303	287	2.43
20	A'	134	127	3.31
21	A"	3184	3013	19.49
22	A"	3074	2910	10.92
23	A"	3067	2903	60.46
24	A"	1537	1455	5.63
25	A"	1333	1262	2.00
26	A"	1291	1222	3.19
27	A"	1225	1160	7.09
28	A"	1067	1009	1.80
29	A"	848	803	0.43
30	A"	361	342	2.06
31	A"	262	248	0.47
32	A"	112	106	7.28
33	A"	77	73	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.927	2.543	0.000
C2	-1.240	1.061	0.000
O3	0.000	0.357	0.000
C4	-0.194	-1.038	0.000
C5	1.129	-1.691	0.000
N6	2.156	-2.239	0.000
H7	-1.853	3.128	0.000
H8	-0.344	2.806	0.888
H9	-0.344	2.806	-0.888
H10	-1.828	0.781	-0.890
H11	-1.828	0.781	0.890
H12	-0.752	-1.371	-0.890
H13	-0.752	-1.371	0.890

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5154	2.3740	3.6550	4.7067	5.6894	1.0960	1.0946	1.0946	2.1701	2.1701	4.0178	4.0178
C2	1.5154		1.4258	2.3448	3.6311	4.7350	2.1568	2.1540	2.1540	1.1025	1.1025	2.6350	2.6350
O3	2.3740	1.4258		1.4084	2.3389	3.3746	3.3337	2.6275	2.6275	2.0770	2.0770	2.0843	2.0843
C4	3.6550	2.3448	1.4084		1.4754	2.6386	4.4845	3.9479	3.9479	2.6023	2.6023	1.1021	1.1021
C5	4.7067	3.6311	2.3389	1.4754		1.1635	5.6675	4.8147	4.8147	3.9560	3.9560	2.1054	2.1054
N6	5.6894	4.7350	3.3746	2.6386	1.1635		6.6993	5.7001	5.7001	5.0779	5.0779	3.1619	3.1619
H7	1.0960	2.1568	3.3337	4.4845	5.6675	6.6993		1.7809	1.7809	2.5104	2.5104	4.7170	4.7170
H8	1.0946	2.1540	2.6275	3.9479	4.8147	5.7001	1.7809		1.7769	3.0767	2.5106	4.5582	4.1969
H9	1.0946	2.1540	2.6275	3.9479	4.8147	5.7001	1.7809	1.7769		2.5106	3.0767	4.1969	4.5582
H10	2.1701	1.1025	2.0770	2.6023	3.9560	5.0779	2.5104	3.0767	2.5106		1.7798	2.4064	2.9931
H11	2.1701	1.1025	2.0770	2.6023	3.9560	5.0779	2.5104	2.5106	3.0767	1.7798		2.9931	2.4064
H12	4.0178	2.6350	2.0843	1.1021	2.1054	3.1619	4.7170	4.5582	4.1969	2.4064	2.9931		1.7798
H13	4.0178	2.6350	2.0843	1.1021	2.1054	3.1619	4.7170	4.1969	4.5582	2.9931	2.4064	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.599	C1	C2	H10	110.992
C1	C2	H11	110.992	C2	C1	H7	110.329
C2	C1	H8	110.197	C2	C1	H9	110.197
C2	O3	C4	111.644	O3	C2	H10	109.813
O3	C2	H11	109.813	O3	C4	C5	108.370
O3	C4	H12	111.670	O3	C4	H13	111.670
C4	C5	N6	178.150	C5	C4	H12	108.676
C5	C4	H13	108.676	H7	C1	H8	108.774
H7	C1	H9	108.774	H8	C1	H9	108.524
H10	C2	H11	107.638	H12	C4	H13	107.700

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)