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	hartrees
Energy at 0K	-173.045321
Energy at 298.15K	-173.053658
Nuclear repulsion energy	124.600264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3388	3353	8.42
2	A	3159	3127	26.34
3	A	3066	3034	8.34
4	A	2970	2940	72.51
5	A	1664	1647	20.04
6	A	1463	1448	18.60
7	A	1372	1358	17.41
8	A	1217	1204	0.47
9	A	1149	1137	5.40
10	A	1017	1007	10.47
11	A	990	980	17.87
12	A	834	825	108.17
13	A	806	797	44.95
14	A	758	750	2.77
15	A	399	395	6.23
16	A	3465	3429	0.68
17	A	3146	3113	0.18
18	A	3061	3030	28.31
19	A	1412	1397	4.27
20	A	1256	1243	0.72
21	A	1167	1155	0.16
22	A	1087	1076	0.73
23	A	1017	1007	2.41
24	A	881	872	9.05
25	A	821	812	2.34
26	A	389	385	9.25
27	A	278	275	38.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.424	0.000
H2	-1.277	0.975	0.000
N3	0.916	1.171	0.000
C4	-0.322	-0.884	0.757
C5	-0.322	-0.884	-0.757
H6	0.956	1.780	0.822
H7	0.956	1.780	-0.822
H8	-1.233	-1.183	1.282
H9	-1.233	-1.183	-1.282
H10	0.612	-1.152	1.254
H11	0.612	-1.152	-1.254

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1021	1.4460	1.5112	1.5112	2.0369	2.0369	2.2478	2.2478	2.2201	2.2201
H2	1.1021		2.2019	2.2222	2.2222	2.5126	2.5126	2.5094	2.5094	3.1084	3.1084
N3	1.4460	2.2019		2.5156	2.5156	1.0239	1.0239	3.4347	3.4347	2.6570	2.6570
C4	1.5112	2.2222	2.5156		1.5133	2.9557	3.3502	1.0923	2.2521	1.0917	2.2332
C5	1.5112	2.2222	2.5156	1.5133		3.3502	2.9557	2.2521	1.0923	2.2332	1.0917
H6	2.0369	2.5126	1.0239	2.9557	3.3502		1.6440	3.7120	4.2418	2.9834	3.6088
H7	2.0369	2.5126	1.0239	3.3502	2.9557	1.6440		4.2418	3.7120	3.6088	2.9834
H8	2.2478	2.5094	3.4347	1.0923	2.2521	3.7120	4.2418		2.5631	1.8449	3.1356
H9	2.2478	2.5094	3.4347	2.2521	1.0923	4.2418	3.7120	2.5631		3.1356	1.8449
H10	2.2201	3.1084	2.6570	1.0917	2.2332	2.9834	3.6088	1.8449	3.1356		2.5079
H11	2.2201	3.1084	2.6570	2.2332	1.0917	3.6088	2.9834	3.1356	1.8449	2.5079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.936	C1	N3	H7	109.936
C1	C4	C5	59.955	C1	C4	H8	118.504
C1	C4	H10	116.132	C1	C5	C4	59.955
C1	C5	H9	118.504	C1	C5	H11	116.132
H2	C1	N3	118.956	H2	C1	C4	115.609
H2	C1	C5	115.609	N3	C1	C4	116.551
N3	C1	C5	116.551	C4	C1	C5	60.089
C4	C5	H9	118.721	C4	C5	H11	117.101
C5	C4	H8	118.721	C5	C4	H10	117.101
H6	N3	H7	106.801	H8	C4	H10	115.283
H9	C5	H11	115.283

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: PBEPBE/6-311G*

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	-0.120
2	H	0.192
3	N	-0.725
4	C	-0.422
5	C	-0.422
6	H	0.314
7	H	0.314
8	H	0.214
9	H	0.214
10	H	0.221
11	H	0.221

	x	y	z	Total
	-0.765	1.182	0.000	1.408
CHELPG
AIM
ESP

	x	y	z
x	5.849	0.564	0.000
y	0.564	6.438	0.000
z	0.000	0.000	6.041

<r²>	78.134
(<r²>)^1/2	8.839

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)