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	hartrees
Energy at 0K	-209.521892
Energy at 298.15K
HF Energy	-208.801764
Nuclear repulsion energy	147.726914

Atom	x (Å)	y (Å)	z (Å)
H1	0.321	2.029	1.266
H2	0.321	2.029	-1.266
H3	-1.116	0.916	-1.258
H4	-1.116	0.916	1.258
H5	1.655	0.339	0.000
C6	0.582	0.227	0.000
N7	-0.230	-2.254	0.000
C8	0.137	-1.154	0.000
C9	-0.230	1.260	0.748
C10	-0.230	1.260	-0.748

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5318	3.1109	1.8182	2.4977	2.2180	4.5003	3.4303	1.0791	2.2252
H2	2.5318		1.8182	3.1109	2.4977	2.2180	4.5003	3.4303	2.2252	1.0791
H3	3.1109	1.8182		2.5167	3.0979	2.2229	3.5236	2.7270	2.2200	1.0788
H4	1.8182	3.1109	2.5167		3.0979	2.2229	3.5236	2.7270	1.0788	2.2200
H5	2.4977	2.4977	3.0979	3.0979		1.0795	3.2064	2.1293	2.2275	2.2275
C6	2.2180	2.2180	2.2229	2.2229	1.0795		2.6102	1.4501	1.5118	1.5118
N7	4.5003	4.5003	3.5236	3.5236	3.2064	2.6102		1.1601	3.5924	3.5924
C8	3.4303	3.4303	2.7270	2.7270	2.1293	1.4501	1.1601		2.5531	2.5531
C9	1.0791	2.2252	2.2200	1.0788	2.2275	1.5118	3.5924	2.5531		1.4959
C10	2.2252	1.0791	1.0788	2.2200	2.2275	1.5118	3.5924	2.5531	1.4959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.827	H1	C9	C6	116.767
H1	C9	C10	118.683	H2	C10	H3	114.827
H2	C10	C6	116.767	H2	C10	C9	118.683
H3	C10	C6	117.214	H3	C10	C9	118.236
H4	C9	C6	117.214	H4	C9	C10	118.236
H5	C6	C8	113.845	H5	C6	C9	117.568
H5	C6	C10	117.568	C6	C8	N7	179.393
C6	C9	C10	60.349	C6	C10	C9	60.349
C8	C6	C9	119.059	C8	C6	C10	119.059
C9	C6	C10	59.302

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)