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	hartrees
Energy at 0K	-173.005848
Energy at 298.15K	-173.014175
HF Energy	-173.005848
Nuclear repulsion energy	124.455925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3369	3314	6.29
2	A'	3181	3128	18.45
3	A'	3090	3039	6.50
4	A'	2988	2939	65.60
5	A'	1647	1619	11.20
6	A'	1479	1454	16.02
7	A'	1386	1363	19.75
8	A'	1226	1205	0.42
9	A'	1155	1136	6.94
10	A'	1030	1013	12.34
11	A'	1000	983	14.75
12	A'	844	831	119.05
13	A'	813	800	23.20
14	A'	756	743	2.52
15	A'	399	392	6.43
16	A"	3455	3398	0.45
17	A"	3168	3116	0.31
18	A"	3086	3035	20.66
19	A"	1428	1404	1.96
20	A"	1255	1234	0.86
21	A"	1170	1151	0.07
22	A"	1097	1079	0.47
23	A"	1028	1011	1.97
24	A"	889	875	8.45
25	A"	821	808	1.32
26	A"	390	383	10.70
27	A"	276	271	37.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.424	0.000
H2	-1.279	0.975	0.000
N3	0.918	1.171	0.000
C4	-0.322	-0.885	0.757
C5	-0.322	-0.885	-0.757
H6	0.949	1.787	0.821
H7	0.949	1.787	-0.821
H8	-1.234	-1.182	1.284
H9	-1.234	-1.182	-1.284
H10	0.613	-1.155	1.255
H11	0.613	-1.155	-1.255

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1039	1.4478	1.5123	1.5123	2.0365	2.0365	2.2499	2.2499	2.2240	2.2240
H2	1.1039		2.2058	2.2245	2.2245	2.5091	2.5091	2.5114	2.5114	3.1138	3.1138
N3	1.4478	2.2058		2.5175	2.5175	1.0274	1.0274	3.4379	3.4379	2.6608	2.6608
C4	1.5123	2.2245	2.5175		1.5141	2.9596	3.3536	1.0943	2.2552	1.0938	2.2352
C5	1.5123	2.2245	2.5175	1.5141		3.3536	2.9596	2.2552	1.0943	2.2352	1.0938
H6	2.0365	2.5091	1.0274	2.9596	3.3536		1.6429	3.7144	4.2446	2.9934	3.6171
H7	2.0365	2.5091	1.0274	3.3536	2.9596	1.6429		4.2446	3.7144	3.6171	2.9934
H8	2.2499	2.5114	3.4379	1.0943	2.2552	3.7144	4.2446		2.5682	1.8477	3.1400
H9	2.2499	2.5114	3.4379	2.2552	1.0943	4.2446	3.7144	2.5682		3.1400	1.8477
H10	2.2240	3.1138	2.6608	1.0938	2.2352	2.9934	3.6171	1.8477	3.1400		2.5097
H11	2.2240	3.1138	2.6608	2.2352	1.0938	3.6171	2.9934	3.1400	1.8477	2.5097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.553	C1	N3	H7	109.553
C1	C4	C5	59.961	C1	C4	H8	118.463
C1	C4	H10	116.238	C1	C5	C4	59.961
C1	C5	H9	118.463	C1	C5	H11	116.238
H2	C1	N3	119.017	H2	C1	C4	115.599
H2	C1	C5	115.599	N3	C1	C4	116.513
N3	C1	C5	116.513	C4	C1	C5	60.079
C4	C5	H9	118.791	C4	C5	H11	117.073
C5	C4	H8	118.791	C5	C4	H10	117.073
H6	N3	H7	106.175	H8	C4	H10	115.217
H9	C5	H11	115.217

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: PBEPBEultrafine/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	-0.034
2	H	0.134
3	N	-0.700
4	C	-0.327
5	C	-0.327
6	H	0.299
7	H	0.299
8	H	0.157
9	H	0.157
10	H	0.171
11	H	0.171

	x	y	z	Total
	-0.773	1.139	0.000	1.376
CHELPG
AIM
ESP

	x	y	z
x	5.439	0.602	0.003
y	0.602	5.845	0.000
z	0.003	0.000	5.573

<r²>	77.925
(<r²>)^1/2	8.828

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)