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	hartrees
Energy at 0K	-172.316434
Energy at 298.15K	-172.324712
Nuclear repulsion energy	125.421186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3419	3381	0.40
2	A	3184	3148	6.02
3	A	3082	3047	2.99
4	A	3002	2968	46.61
5	A	1565	1547	18.74
6	A	1447	1431	35.69
7	A	1346	1331	10.85
8	A	1217	1203	0.01
9	A	1155	1142	2.85
10	A	1018	1007	3.78
11	A	968	957	20.14
12	A	826	817	7.73
13	A	743	734	13.19
14	A	732	724	132.14
15	A	403	398	5.56
16	A	3507	3468	5.59
17	A	3173	3137	0.29
18	A	3078	3043	12.49
19	A	1360	1345	6.85
20	A	1203	1189	1.19
21	A	1130	1117	0.38
22	A	1060	1048	1.68
23	A	996	985	1.55
24	A	897	887	8.71
25	A	801	792	1.85
26	A	393	389	5.66
27	A	256	253	26.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.423	0.000
H2	-1.278	0.980	0.000
N3	0.902	1.154	0.000
C4	-0.322	-0.873	0.751
C5	-0.322	-0.873	-0.751
H6	0.995	1.749	0.829
H7	0.995	1.749	-0.829
H8	-1.237	-1.173	1.278
H9	-1.237	-1.173	-1.278
H10	0.620	-1.134	1.251
H11	0.620	-1.134	-1.251

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1066	1.4258	1.4974	1.4974	2.0450	2.0450	2.2393	2.2393	2.2080	2.2080
H2	1.1066		2.1871	2.2161	2.2161	2.5388	2.5388	2.5037	2.5037	3.1043	3.1043
N3	1.4258	2.1871		2.4838	2.4838	1.0253	1.0253	3.4088	3.4088	2.6228	2.6228
C4	1.4974	2.2161	2.4838		1.5014	2.9353	3.3327	1.0975	2.2454	1.0979	2.2272
C5	1.4974	2.2161	2.4838	1.5014		3.3327	2.9353	2.2454	1.0975	2.2272	1.0979
H6	2.0450	2.5388	1.0253	2.9353	3.3327		1.6590	3.7038	4.2377	2.9383	3.5753
H7	2.0450	2.5388	1.0253	3.3327	2.9353	1.6590		4.2377	3.7038	3.5753	2.9383
H8	2.2393	2.5037	3.4088	1.0975	2.2454	3.7038	4.2377		2.5558	1.8573	3.1371
H9	2.2393	2.5037	3.4088	2.2454	1.0975	4.2377	3.7038	2.5558		3.1371	1.8573
H10	2.2080	3.1043	2.6228	1.0979	2.2272	2.9383	3.5753	1.8573	3.1371		2.5011
H11	2.2080	3.1043	2.6228	2.2272	1.0979	3.5753	2.9383	3.1371	1.8573	2.5011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	112.047	C1	N3	H7	112.047
C1	C4	C5	59.912	C1	C4	H8	118.494
C1	C4	H10	115.742	C1	C5	C4	59.912
C1	C5	H9	118.494	C1	C5	H11	115.742
H2	C1	N3	118.910	H2	C1	C4	115.837
H2	C1	C5	115.837	N3	C1	C4	116.336
N3	C1	C5	116.336	C4	C1	C5	60.177
C4	C5	H9	118.708	C4	C5	H11	117.083
C5	C4	H8	118.708	C5	C4	H10	117.083
H6	N3	H7	107.997	H8	C4	H10	115.552
H9	C5	H11	115.552

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/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	0.823
2	H	-0.475
3	N	-0.073
4	C	0.901
5	C	0.901
6	H	-0.037
7	H	-0.037
8	H	-0.517
9	H	-0.517
10	H	-0.484
11	H	-0.484

	x	y	z	Total
	-0.674	1.010	0.000	1.215
CHELPG
AIM
ESP

	x	y	z
x	7.063	0.490	0.000
y	0.490	7.683	0.000
z	0.000	0.000	7.056

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)