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	hartrees
Energy at 0K	-173.059356
Energy at 298.15K	-173.067682
Nuclear repulsion energy	124.621462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3396	3365	4.33
2	A	3164	3136	19.16
3	A	3071	3043	6.37
4	A	2979	2952	63.16
5	A	1610	1595	14.84
6	A	1451	1438	19.96
7	A	1361	1348	17.10
8	A	1212	1201	0.47
9	A	1141	1131	4.85
10	A	1013	1003	11.18
11	A	989	980	15.23
12	A	823	815	79.13
13	A	800	793	63.19
14	A	752	746	3.02
15	A	399	395	5.57
16	A	3472	3441	0.00
17	A	3151	3123	0.24
18	A	3066	3038	22.77
19	A	1399	1386	4.20
20	A	1238	1227	0.64
21	A	1156	1146	0.16
22	A	1083	1073	0.72
23	A	1019	1010	2.22
24	A	879	871	9.08
25	A	814	807	2.14
26	A	387	384	7.33
27	A	272	269	34.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.323	0.424	0.000
H2	-1.277	0.974	0.000
N3	0.917	1.170	0.000
C4	-0.323	-0.884	0.757
C5	-0.323	-0.884	-0.757
H6	0.958	1.780	0.821
H7	0.958	1.780	-0.821
H8	-1.232	-1.182	1.281
H9	-1.232	-1.182	-1.281
H10	0.612	-1.149	1.251
H11	0.612	-1.149	-1.251

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1007	1.4469	1.5109	1.5109	2.0381	2.0381	2.2468	2.2468	2.2172	2.2172
H2	1.1007		2.2023	2.2209	2.2209	2.5135	2.5135	2.5084	2.5084	3.1052	3.1052
N3	1.4469	2.2023		2.5153	2.5153	1.0239	1.0239	3.4340	3.4340	2.6526	2.6526
C4	1.5109	2.2209	2.5153		1.5136	2.9563	3.3505	1.0912	2.2516	1.0909	2.2308
C5	1.5109	2.2209	2.5153	1.5136		3.3505	2.9563	2.2516	1.0912	2.2308	1.0909
H6	2.0381	2.5135	1.0239	2.9563	3.3505		1.6425	3.7125	4.2416	2.9808	3.6048
H7	2.0381	2.5135	1.0239	3.3505	2.9563	1.6425		4.2416	3.7125	3.6048	2.9808
H8	2.2468	2.5084	3.4340	1.0912	2.2516	3.7125	4.2416		2.5626	1.8453	3.1330
H9	2.2468	2.5084	3.4340	2.2516	1.0912	4.2416	3.7125	2.5626		3.1330	1.8453
H10	2.2172	3.1052	2.6526	1.0909	2.2308	2.9808	3.6048	1.8453	3.1330		2.5016
H11	2.2172	3.1052	2.6526	2.2308	1.0909	3.6048	2.9808	3.1330	1.8453	2.5016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.963	C1	N3	H7	109.963
C1	C4	C5	59.941	C1	C4	H8	118.524
C1	C4	H10	115.959	C1	C5	C4	59.941
C1	C5	H9	118.524	C1	C5	H11	115.959
H2	C1	N3	119.013	H2	C1	C4	115.613
H2	C1	C5	115.613	N3	C1	C4	116.491
N3	C1	C5	116.491	C4	C1	C5	60.119
C4	C5	H9	118.727	C4	C5	H11	116.923
C5	C4	H8	118.727	C5	C4	H10	116.923
H6	N3	H7	106.655	H8	C4	H10	115.484
H9	C5	H11	115.484

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	-0.129
2	H	0.116
3	N	-0.427
4	C	-0.237
5	C	-0.237
6	H	0.194
7	H	0.194
8	H	0.128
9	H	0.128
10	H	0.135
11	H	0.135

	x	y	z	Total
	-0.715	1.131	0.000	1.338
CHELPG
AIM
ESP

	x	y	z
x	5.935	0.565	0.000
y	0.565	6.547	0.000
z	0.000	0.000	6.122

<r²>	78.084
(<r²>)^1/2	8.837

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)