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	hartrees
Energy at 0K	-171.340641
Energy at 298.15K	-171.348882
Nuclear repulsion energy	125.167990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3382	3326	0.38
2	A	3216	3163	5.37
3	A	3110	3059	2.28
4	A	2968	2919	71.82
5	A	1645	1618	14.90
6	A	1450	1426	21.73
7	A	1385	1362	25.16
8	A	1223	1203	1.19
9	A	1167	1148	1.11
10	A	1022	1005	45.87
11	A	1011	994	0.77
12	A	817	804	1.81
13	A	767	755	3.88
14	A	553	544	243.42
15	A	399	392	3.98
16	A	3486	3428	1.17
17	A	3201	3149	0.28
18	A	3105	3054	7.51
19	A	1423	1400	13.05
20	A	1235	1215	2.00
21	A	1173	1153	0.11
22	A	1103	1085	0.56
23	A	1045	1027	7.31
24	A	872	858	3.98
25	A	833	819	2.07
26	A	410	403	13.67
27	A	270	265	39.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.331	0.440	0.000
H2	-1.297	0.978	0.000
N3	0.905	1.144	0.000
C4	-0.331	-0.870	0.755
C5	-0.331	-0.870	-0.755
H6	1.090	1.685	0.854
H7	1.090	1.685	-0.854
H8	-1.243	-1.170	1.277
H9	-1.243	-1.170	-1.277
H10	0.617	-1.111	1.239
H11	0.617	-1.111	-1.239

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1052	1.4228	1.5123	1.5123	2.0737	2.0737	2.2479	2.2479	2.2001	2.2001
H2	1.1052		2.2079	2.2178	2.2178	2.6317	2.6317	2.4996	2.4996	3.0924	3.0924
N3	1.4228	2.2079		2.4812	2.4812	1.0278	1.0278	3.4056	3.4056	2.5892	2.5892
C4	1.5123	2.2178	2.4812		1.5109	2.9256	3.3377	1.0921	2.2477	1.0916	2.2216
C5	1.5123	2.2178	2.4812	1.5109		3.3377	2.9256	2.2477	1.0921	2.2216	1.0916
H6	2.0737	2.6317	1.0278	2.9256	3.3377		1.7084	3.7109	4.2585	2.8618	3.5246
H7	2.0737	2.6317	1.0278	3.3377	2.9256	1.7084		4.2585	3.7109	3.5246	2.8618
H8	2.2479	2.4996	3.4056	1.0921	2.2477	3.7109	4.2585		2.5545	1.8612	3.1295
H9	2.2479	2.4996	3.4056	2.2477	1.0921	4.2585	3.7109	2.5545		3.1295	1.8612
H10	2.2001	3.0924	2.5892	1.0916	2.2216	2.8618	3.5246	1.8612	3.1295		2.4780
H11	2.2001	3.0924	2.5892	2.2216	1.0916	3.5246	2.8618	3.1295	1.8612	2.4780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.640	C1	N3	H7	114.640
C1	C4	C5	60.030	C1	C4	H8	118.450
C1	C4	H10	114.362	C1	C5	C4	60.030
C1	C5	H9	118.450	C1	C5	H11	114.362
H2	C1	N3	121.191	H2	C1	C4	114.954
H2	C1	C5	114.954	N3	C1	C4	115.388
N3	C1	C5	115.388	C4	C1	C5	59.939
C4	C5	H9	118.544	C4	C5	H11	116.294
C5	C4	H8	118.544	C5	C4	H10	116.294
H6	N3	H7	112.414	H8	C4	H10	116.929
H9	C5	H11	116.929

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/3-21G

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	-0.143
2	H	0.188
3	N	-0.662
4	C	-0.418
5	C	-0.418
6	H	0.283
7	H	0.283
8	H	0.212
9	H	0.212
10	H	0.231
11	H	0.231

	x	y	z	Total
	-0.285	1.255	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	5.164	0.660	0.000
y	0.660	5.123	0.000
z	0.000	0.000	5.119

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/3-21G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)