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	hartrees
Energy at 0K	-173.271619
Energy at 298.15K	-173.280008
HF Energy	-173.271619
Nuclear repulsion energy	125.037029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3339	3.27
2	A'	3237	3123	21.29
3	A'	3141	3031	8.00
4	A'	3061	2954	58.24
5	A'	1664	1606	9.40
6	A'	1503	1451	12.09
7	A'	1407	1358	23.87
8	A'	1240	1197	0.44
9	A'	1172	1131	6.82
10	A'	1057	1020	11.69
11	A'	1023	988	6.72
12	A'	855	825	116.06
13	A'	824	796	15.76
14	A'	763	736	2.91
15	A'	393	380	5.50
16	A"	3536	3413	0.00
17	A"	3223	3110	0.21
18	A"	3136	3026	24.80
19	A"	1459	1408	0.75
20	A"	1272	1228	0.97
21	A"	1200	1158	0.06
22	A"	1133	1093	0.36
23	A"	1069	1032	0.91
24	A"	908	876	8.41
25	A"	834	805	1.40
26	A"	387	373	6.57
27	A"	270	261	30.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.411	0.000
H2	-1.271	0.938	0.000
N3	0.891	1.204	0.000
C4	-0.311	-0.893	0.752
C5	-0.311	-0.893	-0.752
H6	0.926	1.799	0.821
H7	0.926	1.799	-0.821
H8	-1.215	-1.182	1.279
H9	-1.215	-1.182	-1.279
H10	0.602	-1.176	1.266
H11	0.602	-1.176	-1.266

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0954	1.4397	1.5051	1.5051	2.0325	2.0325	2.2340	2.2340	2.2258	2.2258
H2	1.0954		2.1782	2.1997	2.1997	2.4988	2.4988	2.4762	2.4762	3.0949	3.0949
N3	1.4397	2.1782		2.5313	2.5313	1.0144	1.0144	3.4298	3.4298	2.7117	2.7117
C4	1.5051	2.1997	2.5313		1.5039	2.9635	3.3543	1.0858	2.2421	1.0848	2.2326
C5	1.5051	2.1997	2.5313	1.5039		3.3543	2.9635	2.2421	1.0858	2.2326	1.0848
H6	2.0325	2.4988	1.0144	2.9635	3.3543		1.6419	3.6987	4.2286	3.0260	3.6488
H7	2.0325	2.4988	1.0144	3.3543	2.9635	1.6419		4.2286	3.6987	3.6488	3.0260
H8	2.2340	2.4762	3.4298	1.0858	2.2421	3.6987	4.2286		2.5587	1.8165	3.1270
H9	2.2340	2.4762	3.4298	2.2421	1.0858	4.2286	3.6987	2.5587		3.1270	1.8165
H10	2.2258	3.0949	2.7117	1.0848	2.2326	3.0260	3.6488	1.8165	3.1270		2.5320
H11	2.2258	3.0949	2.7117	2.2326	1.0848	3.6488	3.0260	3.1270	1.8165	2.5320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.629	C1	N3	H7	110.629
C1	C4	C5	60.027	C1	C4	H8	118.240
C1	C4	H10	117.578	C1	C5	C4	60.027
C1	C5	H9	118.240	C1	C5	H11	117.578
H2	C1	N3	117.817	H2	C1	C4	114.613
H2	C1	C5	114.613	N3	C1	C4	118.518
N3	C1	C5	118.518	C4	C1	C5	59.946
C4	C5	H9	119.061	C4	C5	H11	118.284
C5	C4	H8	119.061	C5	C4	H10	118.284
H6	N3	H7	108.047	H8	C4	H10	113.615
H9	C5	H11	113.615

All results from a given calculation for C₃H₇N (Cyclopropylamine)

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

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)