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	hartrees
Energy at 0K	-173.131390
Energy at 298.15K	-173.139752
Nuclear repulsion energy	124.842476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3426	0.26
2	A	3280	3141	22.93
3	A	3180	3046	6.81
4	A	3075	2945	74.74
5	A	1707	1635	19.54
6	A	1527	1462	14.57
7	A	1444	1383	30.03
8	A	1283	1228	1.64
9	A	1206	1155	3.47
10	A	1093	1047	26.42
11	A	1033	990	0.96
12	A	848	812	4.19
13	A	797	764	4.58
14	A	556	532	277.04
15	A	426	408	11.21
16	A	3695	3539	2.11
17	A	3265	3126	0.16
18	A	3172	3038	19.75
19	A	1496	1433	4.44
20	A	1263	1209	5.78
21	A	1224	1172	0.29
22	A	1157	1108	0.80
23	A	1119	1071	4.63
24	A	907	869	3.36
25	A	873	836	6.84
26	A	412	395	6.83
27	A	274	263	38.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.538	0.000
H2	-0.431	1.544	0.000
N3	1.426	0.410	0.000
C4	-0.794	-0.507	0.756
C5	-0.794	-0.507	-0.756
H6	1.899	0.697	0.845
H7	1.899	0.697	-0.845
H8	-1.692	-0.195	1.280
H9	-1.692	-0.195	-1.280
H10	-0.220	-1.281	1.254
H11	-0.220	-1.281	-1.254

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0946	1.4312	1.5145	1.5145	2.0849	2.0849	2.2442	2.2442	2.2197	2.2197
H2	1.0946		2.1751	2.2161	2.2161	2.6192	2.6192	2.5004	2.5004	3.0978	3.0978
N3	1.4312	2.1751		2.5176	2.5176	1.0106	1.0106	3.4236	3.4236	2.6717	2.6717
C4	1.5145	2.2161	2.5176		1.5129	2.9509	3.3565	1.0851	2.2471	1.0841	2.2290
C5	1.5145	2.2161	2.5176	1.5129		3.3565	2.9509	2.2471	1.0851	2.2290	1.0841
H6	2.0849	2.6192	1.0106	2.9509	3.3565		1.6910	3.7253	4.2668	2.9270	3.5787
H7	2.0849	2.6192	1.0106	3.3565	2.9509	1.6910		4.2668	3.7253	3.5787	2.9270
H8	2.2442	2.5004	3.4236	1.0851	2.2471	3.7253	4.2668		2.5593	1.8293	3.1245
H9	2.2442	2.5004	3.4236	2.2471	1.0851	4.2668	3.7253	2.5593		3.1245	1.8293
H10	2.2197	3.0978	2.6717	1.0841	2.2290	2.9270	3.5787	1.8293	3.1245		2.5070
H11	2.2197	3.0978	2.6717	2.2290	1.0841	3.5787	2.9270	3.1245	1.8293	2.5070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	116.195	C1	N3	H7	116.195
C1	C4	C5	60.034	C1	C4	H8	118.436
C1	C4	H10	116.360	C1	C5	C4	60.034
C1	C5	H9	118.436	C1	C5	H11	116.360
H2	C1	N3	118.280	H2	C1	C4	115.344
H2	C1	C5	115.344	N3	C1	C4	117.418
N3	C1	C5	117.418	C4	C1	C5	59.932
C4	C5	H9	118.825	C4	C5	H11	117.290
C5	C4	H8	118.825	C5	C4	H10	117.290
H6	N3	H7	113.573	H8	C4	H10	114.978
H9	C5	H11	114.978

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3PW91/6-31G

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	-0.046
2	H	0.149
3	N	-0.746
4	C	-0.323
5	C	-0.323
6	H	0.304
7	H	0.304
8	H	0.162
9	H	0.162
10	H	0.179
11	H	0.179

	x	y	z	Total
	0.285	1.122	0.000	1.158
CHELPG
AIM
ESP

<r²>	77.644
(<r²>)^1/2	8.812

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)