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	hartrees
Energy at 0K	-209.485792
Energy at 298.15K	-209.491101
HF Energy	-208.792057
Nuclear repulsion energy	147.330828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3112	5.99
2	A'	3224	3051	0.88
3	A'	3197	3026	2.85
4	A'	2381	2254	9.53
5	A'	1566	1482	0.54
6	A'	1435	1358	0.40
7	A'	1260	1193	1.23
8	A'	1173	1111	0.96
9	A'	1125	1065	5.51
10	A'	998	945	22.56
11	A'	836	792	1.63
12	A'	780	738	3.87
13	A'	532	503	0.36
14	A'	213	202	4.16
15	A"	3276	3101	0.22
16	A"	3191	3020	7.83
17	A"	1519	1437	3.19
18	A"	1237	1171	0.77
19	A"	1158	1096	2.31
20	A"	1132	1071	6.26
21	A"	964	913	1.25
22	A"	864	818	9.07
23	A"	546	517	0.85
24	A"	216	205	2.80

Atom	x (Å)	y (Å)	z (Å)
H1	-1.780	1.039	1.272
H2	-1.780	1.039	-1.272
H3	-1.260	-0.715	-1.262
H4	-1.260	-0.715	1.262
H5	0.283	1.675	0.000
C6	0.000	0.625	0.000
N7	2.022	-1.034	0.000
C8	1.125	-0.290	0.000
C9	-1.259	0.242	0.749
C10	-1.259	0.242	-0.749

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5450	3.1262	1.8296	2.5055	2.2268	4.5136	3.4387	1.0865	2.2344
H2	2.5450		1.8296	3.1262	2.5055	2.2268	4.5136	3.4387	2.2344	1.0865
H3	3.1262	1.8296		2.5248	3.1123	2.2312	3.5312	2.7319	2.2275	1.0862
H4	1.8296	3.1262	2.5248		3.1123	2.2312	3.5312	2.7319	1.0862	2.2275
H5	2.5055	2.5055	3.1123	3.1123		1.0871	3.2194	2.1380	2.2340	2.2340
C6	2.2268	2.2268	2.2312	2.2312	1.0871		2.6158	1.4503	1.5142	1.5142
N7	4.5136	4.5136	3.5312	3.5312	3.2194	2.6158		1.1655	3.5994	3.5994
C8	3.4387	3.4387	2.7319	2.7319	2.1380	1.4503	1.1655		2.5550	2.5550
C9	1.0865	2.2344	2.2275	1.0862	2.2340	1.5142	3.5994	2.5550		1.4979
C10	2.2344	1.0865	1.0862	2.2275	2.2340	1.5142	3.5994	2.5550	1.4979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.719	H1	C9	C6	116.827
H1	C9	C10	118.806	H2	C10	H3	114.719
H2	C10	C6	116.827	H2	C10	C9	118.806
H3	C10	C6	117.231	H3	C10	C9	118.208
H4	C9	C6	117.231	H4	C9	C10	118.208
H5	C6	C8	114.062	H5	C6	C9	117.417
H5	C6	C10	117.417	C6	C8	N7	179.466
C6	C9	C10	60.357	C6	C10	C9	60.357
C8	C6	C9	119.033	C8	C6	C10	119.033
C9	C6	C10	59.286

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

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 C4H5N (Cyclopropanecarbonitrile)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)