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	hartrees
Energy at 0K	-172.921150
Energy at 298.15K
HF Energy	-172.151525
Nuclear repulsion energy	125.372970

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.409	0.000
H2	-1.263	0.935	0.000
N3	0.889	1.201	0.000
C4	-0.311	-0.890	0.752
C5	-0.311	-0.890	-0.752
H6	0.936	1.790	0.819
H7	0.936	1.790	-0.819
H8	-1.214	-1.177	1.275
H9	-1.214	-1.177	-1.275
H10	0.599	-1.170	1.263
H11	0.599	-1.170	-1.263

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0880	1.4389	1.5009	1.5009	2.0339	2.0339	2.2260	2.2260	2.2173	2.2173
H2	1.0880		2.1692	2.1921	2.1921	2.4982	2.4982	2.4683	2.4683	3.0816	3.0816
N3	1.4389	2.1692		2.5263	2.5263	1.0100	1.0100	3.4215	3.4215	2.7022	2.7022
C4	1.5009	2.1921	2.5263		1.5040	2.9574	3.3482	1.0816	2.2371	1.0810	2.2291
C5	1.5009	2.1921	2.5263	1.5040		3.3482	2.9574	2.2371	1.0816	2.2291	1.0810
H6	2.0339	2.4982	1.0100	2.9574	3.3482		1.6386	3.6928	4.2208	3.0118	3.6348
H7	2.0339	2.4982	1.0100	3.3482	2.9574	1.6386		4.2208	3.6928	3.6348	3.0118
H8	2.2260	2.4683	3.4215	1.0816	2.2371	3.6928	4.2208		2.5498	1.8128	3.1191
H9	2.2260	2.4683	3.4215	2.2371	1.0816	4.2208	3.6928	2.5498		3.1191	1.8128
H10	2.2173	3.0816	2.7022	1.0810	2.2291	3.0118	3.6348	1.8128	3.1191		2.5268
H11	2.2173	3.0816	2.7022	2.2291	1.0810	3.6348	3.0118	3.1191	1.8128	2.5268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.099	C1	N3	H7	111.099
C1	C4	C5	59.933	C1	C4	H8	118.165
C1	C4	H10	117.431	C1	C5	C4	59.933
C1	C5	H9	118.165	C1	C5	H11	117.431
H2	C1	N3	117.616	H2	C1	C4	114.772
H2	C1	C5	114.772	N3	C1	C4	118.473
N3	C1	C5	118.473	C4	C1	C5	60.135
C4	C5	H9	118.911	C4	C5	H11	118.235
C5	C4	H8	118.911	C5	C4	H10	118.235
H6	N3	H7	108.422	H8	C4	H10	113.905
H9	C5	H11	113.905

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: CCSD/aug-cc-pVTZ

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 C3H7N (Cyclopropylamine)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)