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	hartrees
Energy at 0K	-172.116254
Energy at 298.15K	-172.124963
Nuclear repulsion energy	125.929221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3385	1.39
2	A	3378	3055	44.53
3	A	3290	2976	13.27
4	A	3240	2931	63.84
5	A	1853	1676	27.41
6	A	1652	1495	15.34
7	A	1544	1396	21.23
8	A	1330	1203	1.13
9	A	1284	1162	14.11
10	A	1166	1054	8.63
11	A	1083	979	3.79
12	A	954	863	147.71
13	A	874	790	28.64
14	A	831	752	6.06
15	A	437	395	6.74
16	A	3815	3450	0.09
17	A	3363	3041	0.04
18	A	3279	2966	37.67
19	A	1587	1436	1.39
20	A	1394	1261	2.56
21	A	1309	1184	0.10
22	A	1244	1125	0.19
23	A	1189	1076	0.60
24	A	982	888	14.09
25	A	910	823	7.17
26	A	429	388	9.09
27	A	311	281	39.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.523	0.000
H2	-0.404	1.526	0.000
N3	1.428	0.383	0.000
C4	-0.786	-0.503	0.751
C5	-0.786	-0.503	-0.751
H6	1.829	0.814	0.807
H7	1.829	0.814	-0.807
H8	-1.679	-0.192	1.263
H9	-1.679	-0.192	-1.263
H10	-0.226	-1.275	1.246
H11	-0.226	-1.275	-1.246

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0810	1.4348	1.4956	1.4956	2.0196	2.0196	2.2199	2.2199	2.1997	2.1997
H2	1.0810		2.1598	2.1973	2.1973	2.4789	2.4789	2.4843	2.4843	3.0710	3.0710
N3	1.4348	2.1598		2.5004	2.5004	0.9987	0.9987	3.4031	3.4031	2.6526	2.6526
C4	1.4956	2.1973	2.5004		1.5024	2.9283	3.3166	1.0756	2.2255	1.0745	2.2131
C5	1.4956	2.1973	2.5004	1.5024		3.3166	2.9283	2.2255	1.0756	2.2131	1.0745
H6	2.0196	2.4789	0.9987	2.9283	3.3166		1.6140	3.6775	4.1955	2.9627	3.5775
H7	2.0196	2.4789	0.9987	3.3166	2.9283	1.6140		4.1955	3.6775	3.5775	2.9627
H8	2.2199	2.4843	3.4031	1.0756	2.2255	3.6775	4.1955		2.5267	1.8130	3.0955
H9	2.2199	2.4843	3.4031	2.2255	1.0756	4.1955	3.6775	2.5267		3.0955	1.8130
H10	2.1997	3.0710	2.6526	1.0745	2.2131	2.9627	3.5775	1.8130	3.0955		2.4916
H11	2.1997	3.0710	2.6526	2.2131	1.0745	3.5775	2.9627	3.0955	1.8130	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.907	C1	N3	H7	110.907
C1	C4	C5	59.849	C1	C4	H8	118.476
C1	C4	H10	116.762	C1	C5	C4	59.849
C1	C5	H9	118.476	C1	C5	H11	116.762
H2	C1	N3	117.602	H2	C1	C4	116.101
H2	C1	C5	116.101	N3	C1	C4	117.120
N3	C1	C5	117.120	C4	C1	C5	60.301
C4	C5	H9	118.434	C4	C5	H11	117.405
C5	C4	H8	118.434	C5	C4	H10	117.405
H6	N3	H7	107.804	H8	C4	H10	114.958
H9	C5	H11	114.958

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/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	CHELPG	ESP
1	C	-0.055	0.323	0.285
2	H	0.196	-0.004	0.028
3	N	-0.836	-0.903	-0.918
4	C	-0.433	-0.264	-0.353
5	C	-0.433	-0.264	-0.353
6	H	0.333	0.339	0.354
7	H	0.333	0.339	0.354
8	H	0.218	0.093	0.134
9	H	0.218	0.093	0.134
10	H	0.229	0.124	0.167
11	H	0.229	0.124	0.167

	x	y	z	Total
	-0.020	1.420	0.000	1.420
CHELPG
AIM
ESP	-0.002	1.407	0.000	1.407

	x	y	z
x	5.839	0.373	0.000
y	0.373	5.097	0.000
z	0.000	0.000	5.575

<r²>	77.005
(<r²>)^1/2	8.775

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)