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	hartrees
Energy at 0K	-170.966964
Energy at 298.15K	-170.974974
Nuclear repulsion energy	121.061082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3447	3189	0.02
2	A	3296	3050	1.36
3	A	3284	3038	26.24
4	A	3231	2989	13.30
5	A	1799	1665	1.94
6	A	1581	1463	2.93
7	A	1457	1348	17.88
8	A	1266	1171	5.66
9	A	1174	1086	5.63
10	A	1157	1071	0.60
11	A	1084	1003	21.35
12	A	926	856	31.40
13	A	830	768	1.11
14	A	803	743	2.97
15	A	375	347	5.87
16	A	3461	3202	24.52
17	A	3440	3183	0.36
18	A	3290	3044	1.15
19	A	1545	1429	0.23
20	A	1374	1271	0.00
21	A	1247	1154	0.00
22	A	1173	1085	0.15
23	A	1151	1065	0.91
24	A	954	882	5.02
25	A	862	798	0.29
26	A	360	333	3.96
27	A	217	201	45.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.330	0.425	0.000
H2	-1.291	0.990	0.000
N3	0.974	1.215	0.000
C4	-0.330	-0.917	0.772
C5	-0.330	-0.917	-0.772
H6	0.853	1.894	0.829
H7	0.853	1.894	-0.829
H8	-1.252	-1.213	1.300
H9	-1.252	-1.213	-1.300
H10	0.608	-1.204	1.276
H11	0.608	-1.204	-1.276

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1148	1.5249	1.5478	1.5478	2.0606	2.0606	2.2859	2.2859	2.2716	2.2716
H2	1.1148		2.2762	2.2706	2.2706	2.4704	2.4704	2.5590	2.5590	3.1698	3.1698
N3	1.5249	2.2762		2.6156	2.6156	1.0783	1.0783	3.5419	3.5419	2.7589	2.7589
C4	1.5478	2.2706	2.6156		1.5438	3.0502	3.4444	1.1035	2.2876	1.1030	2.2706
C5	1.5478	2.2706	2.6156	1.5438		3.4444	3.0502	2.2876	1.1035	2.2706	1.1030
H6	2.0606	2.4704	1.0783	3.0502	3.4444		1.6582	3.7830	4.3155	3.1392	3.7530
H7	2.0606	2.4704	1.0783	3.4444	3.0502	1.6582		4.3155	3.7830	3.7530	3.1392
H8	2.2859	2.5590	3.5419	1.1035	2.2876	3.7830	4.3155		2.6010	1.8606	3.1778
H9	2.2859	2.5590	3.5419	2.2876	1.1035	4.3155	3.7830	2.6010		3.1778	1.8606
H10	2.2716	3.1698	2.7589	1.1030	2.2706	3.1392	3.7530	1.8606	3.1778		2.5514
H11	2.2716	3.1698	2.7589	2.2706	1.1030	3.7530	3.1392	3.1778	1.8606	2.5514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	103.331	C1	N3	H7	103.331
C1	C4	C5	60.086	C1	C4	H8	118.155
C1	C4	H10	116.956	C1	C5	C4	60.086
C1	C5	H9	118.155	C1	C5	H11	116.956
H2	C1	N3	118.320	H2	C1	C4	116.076
H2	C1	C5	116.076	N3	C1	C4	116.687
N3	C1	C5	116.687	C4	C1	C5	59.828
C4	C5	H9	118.621	C4	C5	H11	117.177
C5	C4	H8	118.621	C5	C4	H10	117.177
H6	N3	H7	100.511	H8	C4	H10	114.971
H9	C5	H11	114.971

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/STO-3G

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	-0.023
2	H	0.064
3	N	-0.342
4	C	-0.158
5	C	-0.158
6	H	0.145
7	H	0.145
8	H	0.077
9	H	0.077
10	H	0.087
11	H	0.087

	x	y	z	Total
	-1.228	0.982	0.000	1.572
CHELPG
AIM
ESP

	x	y	z
x	2.828	0.464	0.000
y	0.464	3.446	0.000
z	0.000	0.000	3.149

<r²>	80.900
(<r²>)^1/2	8.994

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)