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	hartrees
Energy at 0K	-172.827594
Energy at 298.15K	-172.836089
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3355	0.24
2	A'	3294	3115	11.43
3	A'	3198	3024	4.57
4	A'	3145	2973	36.61
5	A'	1694	1602	15.41
6	A'	1539	1455	15.43
7	A'	1444	1365	16.68
8	A'	1265	1196	0.28
9	A'	1202	1137	8.49
10	A'	1087	1028	12.71
11	A'	1041	985	7.86
12	A'	894	846	121.12
13	A'	840	795	14.93
14	A'	784	741	2.39
15	A'	408	386	5.80
16	A"	3631	3433	1.22
17	A"	3282	3103	0.24
18	A"	3191	3017	13.28
19	A"	1479	1398	1.19
20	A"	1302	1231	0.98
21	A"	1220	1153	0.11
22	A"	1161	1097	0.36
23	A"	1101	1041	0.93
24	A"	935	884	9.35
25	A"	858	811	2.08
26	A"	404	382	8.10
27	A"	279	264	31.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.410	0.000
H2	-1.266	0.937	0.000
N3	0.891	1.198	0.000
C4	-0.311	-0.890	0.752
C5	-0.311	-0.890	-0.752
H6	0.924	1.792	0.818
H7	0.924	1.792	-0.818
H8	-1.214	-1.178	1.277
H9	-1.214	-1.178	-1.277
H10	0.600	-1.170	1.265
H11	0.600	-1.170	-1.265

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0907	1.4375	1.5020	1.5020	2.0256	2.0256	2.2289	2.2289	2.2194	2.2194
H2	1.0907		2.1729	2.1945	2.1945	2.4891	2.4891	2.4714	2.4714	3.0856	3.0856
N3	1.4375	2.1729		2.5242	2.5242	1.0108	1.0108	3.4218	3.4218	2.7003	2.7003
C4	1.5020	2.1945	2.5242		1.5047	2.9531	3.3439	1.0831	2.2394	1.0822	2.2308
C5	1.5020	2.1945	2.5242	1.5047		3.3439	2.9531	2.2394	1.0831	2.2308	1.0822
H6	2.0256	2.4891	1.0108	2.9531	3.3439		1.6354	3.6881	4.2164	3.0125	3.6347
H7	2.0256	2.4891	1.0108	3.3439	2.9531	1.6354		4.2164	3.6881	3.6347	3.0125
H8	2.2289	2.4714	3.4218	1.0831	2.2394	3.6881	4.2164		2.5534	1.8141	3.1222
H9	2.2289	2.4714	3.4218	2.2394	1.0831	4.2164	3.6881	2.5534		3.1222	1.8141
H10	2.2194	3.0856	2.7003	1.0822	2.2308	3.0125	3.6347	1.8141	3.1222		2.5290
H11	2.2194	3.0856	2.7003	2.2308	1.0822	3.6347	3.0125	3.1222	1.8141	2.5290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.436	C1	N3	H7	110.436
C1	C4	C5	59.942	C1	C4	H8	118.226
C1	C4	H10	117.449	C1	C5	C4	59.942
C1	C5	H9	118.226	C1	C5	H11	117.449
H2	C1	N3	117.858	H2	C1	C4	114.723
H2	C1	C5	114.723	N3	C1	C4	118.328
N3	C1	C5	118.328	C4	C1	C5	60.117
C4	C5	H9	118.956	C4	C5	H11	118.248
C5	C4	H8	118.956	C5	C4	H10	118.248
H6	N3	H7	107.983	H8	C4	H10	113.819
H9	C5	H11	113.819

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)