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	hartrees
Energy at 0K	-172.110188
Energy at 298.15K	-172.118847
Nuclear repulsion energy	125.596918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3390	0.12
2	A	3377	3075	29.51
3	A	3286	2992	10.29
4	A	3241	2951	46.43
5	A	1780	1620	21.83
6	A	1632	1486	18.48
7	A	1521	1385	23.03
8	A	1324	1206	2.13
9	A	1266	1152	8.85
10	A	1150	1047	9.32
11	A	1072	976	1.18
12	A	915	833	108.37
13	A	858	782	49.64
14	A	817	744	4.68
15	A	433	395	5.94
16	A	3805	3465	3.43
17	A	3363	3062	0.08
18	A	3275	2982	30.85
19	A	1563	1424	1.44
20	A	1362	1240	2.05
21	A	1286	1171	0.29
22	A	1224	1115	0.64
23	A	1170	1065	0.51
24	A	971	884	13.96
25	A	896	816	5.85
26	A	423	385	5.77
27	A	288	263	31.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.522	0.000
H2	-0.407	1.528	0.000
N3	1.430	0.388	0.000
C4	-0.788	-0.505	0.753
C5	-0.788	-0.505	-0.753
H6	1.836	0.817	0.810
H7	1.836	0.817	-0.810
H8	-1.685	-0.188	1.266
H9	-1.685	-0.188	-1.266
H10	-0.227	-1.284	1.249
H11	-0.227	-1.284	-1.249

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0854	1.4366	1.4977	1.4977	2.0286	2.0286	2.2236	2.2236	2.2070	2.2070
H2	1.0854		2.1624	2.2015	2.2015	2.4889	2.4889	2.4858	2.4858	3.0818	3.0818
N3	1.4366	2.1624		2.5072	2.5072	1.0025	1.0025	3.4113	3.4113	2.6647	2.6647
C4	1.4977	2.2015	2.5072		1.5063	2.9390	3.3285	1.0806	2.2319	1.0799	2.2198
C5	1.4977	2.2015	2.5072	1.5063		3.3285	2.9390	2.2319	1.0806	2.2198	1.0799
H6	2.0286	2.4889	1.0025	2.9390	3.3285		1.6203	3.6897	4.2091	2.9769	3.5928
H7	2.0286	2.4889	1.0025	3.3285	2.9390	1.6203		4.2091	3.6897	3.5928	2.9769
H8	2.2236	2.4858	3.4113	1.0806	2.2319	3.6897	4.2091		2.5320	1.8236	3.1062
H9	2.2236	2.4858	3.4113	2.2319	1.0806	4.2091	3.6897	2.5320		3.1062	1.8236
H10	2.2070	3.0818	2.6647	1.0799	2.2198	2.9769	3.5928	1.8236	3.1062		2.4971
H11	2.2070	3.0818	2.6647	2.2198	1.0799	3.5928	2.9769	3.1062	1.8236	2.4971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.302	C1	N3	H7	111.302
C1	C4	C5	59.810	C1	C4	H8	118.283
C1	C4	H10	116.858	C1	C5	C4	59.810
C1	C5	H9	118.283	C1	C5	H11	116.858
H2	C1	N3	117.378	H2	C1	C4	116.000
H2	C1	C5	116.000	N3	C1	C4	117.382
N3	C1	C5	117.382	C4	C1	C5	60.379
C4	C5	H9	118.333	C4	C5	H11	117.306
C5	C4	H8	118.333	C5	C4	H10	117.306
H6	N3	H7	107.826	H8	C4	H10	115.152
H9	C5	H11	115.152

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/aug-cc-pVDZ

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	0.839
2	H	-0.305
3	N	-0.454
4	C	0.635
5	C	0.635
6	H	-0.019
7	H	-0.019
8	H	-0.338
9	H	-0.338
10	H	-0.317
11	H	-0.317

	x	y	z	Total
	-0.081	1.295	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	6.654	0.450	0.000
y	0.450	6.042	0.000
z	0.000	0.000	6.331

<r²>	77.519
(<r²>)^1/2	8.804

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)