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	hartrees
Energy at 0K	-172.307477
Energy at 298.15K	-172.315792
Nuclear repulsion energy	125.858545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3433	3378	0.29
2	A	3188	3137	5.66
3	A	3089	3039	2.82
4	A	2989	2941	51.43
5	A	1585	1559	13.57
6	A	1453	1430	31.00
7	A	1359	1337	8.92
8	A	1224	1205	0.12
9	A	1164	1145	4.99
10	A	1038	1021	6.00
11	A	986	970	17.67
12	A	835	822	8.30
13	A	775	763	145.86
14	A	745	733	3.85
15	A	399	393	5.17
16	A	3517	3460	2.71
17	A	3176	3125	0.29
18	A	3084	3035	11.40
19	A	1372	1350	5.35
20	A	1224	1205	1.28
21	A	1146	1128	0.12
22	A	1079	1062	0.57
23	A	1018	1001	1.39
24	A	908	894	6.89
25	A	808	795	0.90
26	A	396	390	8.13
27	A	266	262	29.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.320	0.423	0.000
H2	-1.276	0.973	0.000
N3	0.903	1.148	0.000
C4	-0.320	-0.870	0.748
C5	-0.320	-0.870	-0.748
H6	0.975	1.750	0.824
H7	0.975	1.750	-0.824
H8	-1.229	-1.170	1.275
H9	-1.229	-1.170	-1.275
H10	0.618	-1.130	1.244
H11	0.618	-1.130	-1.244

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1030	1.4216	1.4938	1.4938	2.0290	2.0290	2.2336	2.2336	2.1997	2.1997
H2	1.1030		2.1858	2.2071	2.2071	2.5198	2.5198	2.4945	2.4945	3.0916	3.0916
N3	1.4216	2.1858		2.4752	2.4752	1.0227	1.0227	3.3973	3.3973	2.6107	2.6107
C4	1.4938	2.2071	2.4752		1.4958	2.9235	3.3183	1.0922	2.2374	1.0925	2.2169
C5	1.4938	2.2071	2.4752	1.4958		3.3183	2.9235	2.2374	1.0922	2.2169	1.0925
H6	2.0290	2.5198	1.0227	2.9235	3.3183		1.6473	3.6861	4.2174	2.9319	3.5629
H7	2.0290	2.5198	1.0227	3.3183	2.9235	1.6473		4.2174	3.6861	3.5629	2.9319
H8	2.2336	2.4945	3.3973	1.0922	2.2374	3.6861	4.2174		2.5492	1.8473	3.1232
H9	2.2336	2.4945	3.3973	2.2374	1.0922	4.2174	3.6861	2.5492		3.1232	1.8473
H10	2.1997	3.0916	2.6107	1.0925	2.2169	2.9319	3.5629	1.8473	3.1232		2.4877
H11	2.1997	3.0916	2.6107	2.2169	1.0925	3.5629	2.9319	3.1232	1.8473	2.4877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.162	C1	N3	H7	111.162
C1	C4	C5	59.954	C1	C4	H8	118.651
C1	C4	H10	115.671	C1	C5	C4	59.954
C1	C5	H9	118.651	C1	C5	H11	115.671
H2	C1	N3	119.416	H2	C1	C4	115.593
H2	C1	C5	115.593	N3	C1	C4	116.184
N3	C1	C5	116.184	C4	C1	C5	60.092
C4	C5	H9	118.830	C4	C5	H11	116.999
C5	C4	H8	118.830	C5	C4	H10	116.999
H6	N3	H7	107.286	H8	C4	H10	115.462
H9	C5	H11	115.462

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.022
2	H	0.096
3	N	-0.527
4	C	-0.309
5	C	-0.309
6	H	0.253
7	H	0.253
8	H	0.138
9	H	0.138
10	H	0.146
11	H	0.146

	x	y	z	Total
	-0.552	1.091	0.000	1.223
CHELPG
AIM
ESP

	x	y	z
x	5.663	0.584	0.000
y	0.584	6.079	0.000
z	0.000	0.000	5.764

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)