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	hartrees
Energy at 0K	-173.017830
Energy at 298.15K	-173.026142
Nuclear repulsion energy	124.285258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3360	3341	6.08
2	A	3171	3153	14.06
3	A	3070	3052	4.98
4	A	2971	2954	62.91
5	A	1590	1580	7.51
6	A	1440	1432	22.57
7	A	1348	1340	13.42
8	A	1207	1200	0.09
9	A	1137	1131	6.21
10	A	1018	1012	7.81
11	A	981	976	13.93
12	A	839	834	105.06
13	A	808	803	15.16
14	A	745	741	3.10
15	A	395	393	4.59
16	A	3435	3415	0.12
17	A	3159	3141	0.37
18	A	3064	3047	18.18
19	A	1368	1360	2.68
20	A	1238	1231	0.43
21	A	1143	1136	0.10
22	A	1070	1064	0.33
23	A	1007	1001	0.85
24	A	883	878	9.21
25	A	804	799	1.19
26	A	385	382	7.80
27	A	273	272	30.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.323	0.426	0.000
H2	-1.286	0.978	0.000
N3	0.921	1.166	0.000
C4	-0.323	-0.884	0.758
C5	-0.323	-0.884	-0.758
H6	0.943	1.793	0.819
H7	0.943	1.793	-0.819
H8	-1.239	-1.185	1.286
H9	-1.239	-1.185	-1.286
H10	0.621	-1.151	1.256
H11	0.621	-1.151	-1.256

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1098	1.4473	1.5142	1.5142	2.0351	2.0351	2.2563	2.2563	2.2260	2.2260
H2	1.1098		2.2146	2.2296	2.2296	2.5107	2.5107	2.5172	2.5172	3.1215	3.1215
N3	1.4473	2.2146		2.5155	2.5155	1.0312	1.0312	3.4425	3.4425	2.6529	2.6529
C4	1.5142	2.2296	2.5155		1.5165	2.9624	3.3555	1.0996	2.2605	1.0994	2.2400
C5	1.5142	2.2296	2.5155	1.5165		3.3555	2.9624	2.2605	1.0996	2.2400	1.0994
H6	2.0351	2.5107	1.0312	2.9624	3.3555		1.6374	3.7220	4.2503	2.9937	3.6160
H7	2.0351	2.5107	1.0312	3.3555	2.9624	1.6374		4.2503	3.7220	3.6160	2.9937
H8	2.2563	2.5172	3.4425	1.0996	2.2605	3.7220	4.2503		2.5722	1.8605	3.1500
H9	2.2563	2.5172	3.4425	2.2605	1.0996	4.2503	3.7220	2.5722		3.1500	1.8605
H10	2.2260	3.1215	2.6529	1.0994	2.2400	2.9937	3.6160	1.8605	3.1500		2.5118
H11	2.2260	3.1215	2.6529	2.2400	1.0994	3.6160	2.9937	3.1500	1.8605	2.5118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.243	C1	N3	H7	109.243
C1	C4	C5	59.951	C1	C4	H8	118.501
C1	C4	H10	115.879	C1	C5	C4	59.951
C1	C5	H9	118.501	C1	C5	H11	115.879
H2	C1	N3	119.427	H2	C1	C4	115.491
H2	C1	C5	115.491	N3	C1	C4	116.275
N3	C1	C5	116.275	C4	C1	C5	60.098
C4	C5	H9	118.689	C4	C5	H11	116.913
C5	C4	H8	118.689	C5	C4	H10	116.913
H6	N3	H7	105.109	H8	C4	H10	115.572
H9	C5	H11	115.572

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.096
2	H	-0.007
3	N	-0.137
4	C	-0.018
5	C	-0.018
6	H	0.080
7	H	0.080
8	H	0.028
9	H	0.028
10	H	0.030
11	H	0.030

	x	y	z	Total
	-0.622	1.138	0.000	1.297
CHELPG
AIM
ESP

	x	y	z
x	5.776	0.574	0.000
y	0.574	6.340	0.000
z	0.000	0.000	5.914

<r²>	78.219
(<r²>)^1/2	8.844

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)