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	hartrees
Energy at 0K	-172.291128
Energy at 298.15K	-172.299473
Nuclear repulsion energy	125.665507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3407	3343	1.50
2	A	3190	3130	8.62
3	A	3096	3039	3.36
4	A	2987	2931	60.58
5	A	1625	1595	16.49
6	A	1483	1455	28.07
7	A	1386	1360	11.18
8	A	1238	1215	0.22
9	A	1176	1154	6.44
10	A	1045	1026	7.31
11	A	995	976	22.93
12	A	842	827	17.15
13	A	793	778	156.75
14	A	758	744	2.14
15	A	405	397	6.31
16	A	3496	3431	0.62
17	A	3179	3120	0.42
18	A	3092	3035	12.56
19	A	1403	1377	5.65
20	A	1241	1218	1.26
21	A	1160	1138	0.11
22	A	1086	1065	0.65
23	A	1024	1005	2.35
24	A	912	895	8.06
25	A	819	804	0.97
26	A	401	394	12.45
27	A	279	274	36.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.321	0.424	0.000
H2	-1.280	0.975	0.000
N3	0.905	1.148	0.000
C4	-0.321	-0.871	0.748
C5	-0.321	-0.871	-0.748
H6	0.974	1.752	0.827
H7	0.974	1.752	-0.827
H8	-1.231	-1.171	1.277
H9	-1.231	-1.171	-1.277
H10	0.618	-1.131	1.246
H11	0.618	-1.131	-1.246

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1055	1.4244	1.4958	1.4958	2.0309	2.0309	2.2369	2.2369	2.2032	2.2032
H2	1.1055		2.1918	2.2105	2.2105	2.5233	2.5233	2.4977	2.4977	3.0968	3.0968
N3	1.4244	2.1918		2.4785	2.4785	1.0258	1.0258	3.4025	3.4025	2.6140	2.6140
C4	1.4958	2.2105	2.4785		1.4966	2.9263	3.3224	1.0945	2.2403	1.0944	2.2199
C5	1.4958	2.2105	2.4785	1.4966		3.3224	2.9263	2.2403	1.0945	2.2199	1.0944
H6	2.0309	2.5233	1.0258	2.9263	3.3224		1.6536	3.6895	4.2230	2.9351	3.5688
H7	2.0309	2.5233	1.0258	3.3224	2.9263	1.6536		4.2230	3.6895	3.5688	2.9351
H8	2.2369	2.4977	3.4025	1.0945	2.2403	3.6895	4.2230		2.5531	1.8503	3.1284
H9	2.2369	2.4977	3.4025	2.2403	1.0945	4.2230	3.6895	2.5531		3.1284	1.8503
H10	2.2032	3.0968	2.6140	1.0944	2.2199	2.9351	3.5688	1.8503	3.1284		2.4924
H11	2.2032	3.0968	2.6140	2.2199	1.0944	3.5688	2.9351	3.1284	1.8503	2.4924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.914	C1	N3	H7	110.914
C1	C4	C5	59.981	C1	C4	H8	118.619
C1	C4	H10	115.687	C1	C5	C4	59.981
C1	C5	H9	118.619	C1	C5	H11	115.687
H2	C1	N3	119.542	H2	C1	C4	115.560
H2	C1	C5	115.560	N3	C1	C4	116.127
N3	C1	C5	116.127	C4	C1	C5	60.038
C4	C5	H9	118.858	C4	C5	H11	117.061
C5	C4	H8	118.858	C5	C4	H10	117.061
H6	N3	H7	107.412	H8	C4	H10	115.405
H9	C5	H11	115.405

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/6-31G*

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	-0.045
2	H	0.146
3	N	-0.728
4	C	-0.359
5	C	-0.359
6	H	0.317
7	H	0.317
8	H	0.171
9	H	0.171
10	H	0.184
11	H	0.184

	x	y	z	Total
	-0.655	1.213	0.000	1.379
CHELPG
AIM
ESP

	x	y	z
x	5.484	0.596	0.000
y	0.596	5.746	0.000
z	0.000	0.000	5.538

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)