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	hartrees
Energy at 0K	-173.096158
Energy at 298.15K	-173.104397
Nuclear repulsion energy	123.473522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3404	3379	5.59
2	A	3180	3156	32.01
3	A	3086	3062	9.10
4	A	2962	2939	89.84
5	A	1661	1649	9.99
6	A	1481	1470	8.37
7	A	1390	1379	36.34
8	A	1221	1212	2.77
9	A	1155	1146	1.88
10	A	1049	1041	21.66
11	A	978	971	0.13
12	A	810	804	1.58
13	A	756	751	5.42
14	A	585	580	227.66
15	A	412	409	8.04
16	A	3513	3486	0.42
17	A	3165	3141	0.11
18	A	3079	3056	25.15
19	A	1462	1451	2.23
20	A	1228	1219	3.13
21	A	1187	1178	0.06
22	A	1116	1108	0.36
23	A	1074	1066	3.16
24	A	865	859	0.90
25	A	826	820	7.49
26	A	397	394	8.92
27	A	263	261	40.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.543	0.000
H2	-0.435	1.557	0.000
N3	1.445	0.408	0.000
C4	-0.803	-0.514	0.766
C5	-0.803	-0.514	-0.766
H6	1.908	0.745	0.848
H7	1.908	0.745	-0.848
H8	-1.706	-0.199	1.293
H9	-1.706	-0.199	-1.293
H10	-0.225	-1.294	1.265
H11	-0.225	-1.294	-1.265

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1033	1.4510	1.5321	1.5321	2.0972	2.0972	2.2659	2.2659	2.2419	2.2419
H2	1.1033		2.2027	2.2384	2.2384	2.6197	2.6197	2.5245	2.5245	3.1262	3.1262
N3	1.4510	2.2027		2.5468	2.5468	1.0232	1.0232	3.4596	3.4596	2.6993	2.6993
C4	1.5321	2.2384	2.5468		1.5318	2.9895	3.3963	1.0927	2.2707	1.0915	2.2513
C5	1.5321	2.2384	2.5468	1.5318		3.3963	2.9895	2.2707	1.0927	2.2513	1.0915
H6	2.0972	2.6197	1.0232	2.9895	3.3963		1.6956	3.7616	4.3053	2.9803	3.6296
H7	2.0972	2.6197	1.0232	3.3963	2.9895	1.6956		4.3053	3.7616	3.6296	2.9803
H8	2.2659	2.5245	3.4596	1.0927	2.2707	3.7616	4.3053		2.5867	1.8420	3.1527
H9	2.2659	2.5245	3.4596	2.2707	1.0927	4.3053	3.7616	2.5867		3.1527	1.8420
H10	2.2419	3.1262	2.6993	1.0915	2.2513	2.9803	3.6296	1.8420	3.1527		2.5310
H11	2.2419	3.1262	2.6993	2.2513	1.0915	3.6296	2.9803	3.1527	1.8420	2.5310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.814	C1	N3	H7	114.814
C1	C4	C5	60.008	C1	C4	H8	118.407
C1	C4	H10	116.402	C1	C5	C4	60.008
C1	C5	H9	118.407	C1	C5	H11	116.402
H2	C1	N3	118.538	H2	C1	C4	115.317
H2	C1	C5	115.317	N3	C1	C4	117.217
N3	C1	C5	117.217	C4	C1	C5	59.983
C4	C5	H9	118.863	C4	C5	H11	117.240
C5	C4	H8	118.863	C5	C4	H10	117.240
H6	N3	H7	111.900	H8	C4	H10	114.987
H9	C5	H11	114.987

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.003
2	H	0.096
3	N	-0.644
4	C	-0.233
5	C	-0.233
6	H	0.262
7	H	0.262
8	H	0.115
9	H	0.115
10	H	0.131
11	H	0.131

	x	y	z	Total
	0.254	1.212	0.000	1.239
CHELPG
AIM
ESP

<r²>	79.251
(<r²>)^1/2	8.902

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)