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	hartrees
Energy at 0K	-173.252205
Energy at 298.15K	-173.260669
Nuclear repulsion energy	125.566081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3532	3379	1.09
2	A	3255	3114	18.07
3	A	3160	3023	6.08
4	A	3085	2952	54.96
5	A	1667	1595	18.59
6	A	1514	1449	21.65
7	A	1418	1357	16.19
8	A	1257	1202	0.53
9	A	1190	1139	6.63
10	A	1059	1013	13.27
11	A	1025	981	9.52
12	A	855	818	69.59
13	A	823	787	85.66
14	A	781	747	3.04
15	A	412	394	5.86
16	A	3611	3455	0.74
17	A	3242	3102	0.21
18	A	3154	3017	21.08
19	A	1452	1389	4.27
20	A	1280	1224	1.13
21	A	1200	1148	0.18
22	A	1131	1082	0.69
23	A	1070	1024	2.01
24	A	917	878	11.05
25	A	846	810	2.74
26	A	401	384	7.39
27	A	282	270	35.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.320	0.420	0.000
H2	-1.264	0.967	0.000
N3	0.906	1.165	0.000
C4	-0.320	-0.878	0.752
C5	-0.320	-0.878	-0.752
H6	0.960	1.763	0.816
H7	0.960	1.763	-0.816
H8	-1.223	-1.175	1.269
H9	-1.223	-1.175	-1.269
H10	0.606	-1.143	1.243
H11	0.606	-1.143	-1.243

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0908	1.4354	1.4998	1.4998	2.0267	2.0267	2.2296	2.2296	2.2017	2.2017
H2	1.0908		2.1794	2.2045	2.2045	2.4986	2.4986	2.4906	2.4906	3.0818	3.0818
N3	1.4354	2.1794		2.4988	2.4988	1.0128	1.0128	3.4095	3.4095	2.6388	2.6388
C4	1.4998	2.2045	2.4988		1.5030	2.9353	3.3270	1.0826	2.2333	1.0822	2.2156
C5	1.4998	2.2045	2.4988	1.5030		3.3270	2.9353	2.2333	1.0826	2.2156	1.0822
H6	2.0267	2.4986	1.0128	2.9353	3.3270		1.6319	3.6882	4.2126	2.9581	3.5789
H7	2.0267	2.4986	1.0128	3.3270	2.9353	1.6319		4.2126	3.6882	3.5789	2.9581
H8	2.2296	2.4906	3.4095	1.0826	2.2333	3.6882	4.2126		2.5387	1.8304	3.1086
H9	2.2296	2.4906	3.4095	2.2333	1.0826	4.2126	3.6882	2.5387		3.1086	1.8304
H10	2.2017	3.0818	2.6388	1.0822	2.2156	2.9581	3.5789	1.8304	3.1086		2.4868
H11	2.2017	3.0818	2.6388	2.2156	1.0822	3.5789	2.9581	3.1086	1.8304	2.4868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.564	C1	N3	H7	110.564
C1	C4	C5	59.928	C1	C4	H8	118.507
C1	C4	H10	116.079	C1	C5	C4	59.928
C1	C5	H9	118.507	C1	C5	H11	116.079
H2	C1	N3	118.606	H2	C1	C4	115.737
H2	C1	C5	115.737	N3	C1	C4	116.697
N3	C1	C5	116.697	C4	C1	C5	60.144
C4	C5	H9	118.575	C4	C5	H11	117.033
C5	C4	H8	118.575	C5	C4	H10	117.033
H6	N3	H7	107.343	H8	C4	H10	115.455
H9	C5	H11	115.455

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-311G**

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	-0.119
2	H	0.119
3	N	-0.459
4	C	-0.244
5	C	-0.244
6	H	0.200
7	H	0.200
8	H	0.132
9	H	0.132
10	H	0.141
11	H	0.141

	x	y	z	Total
	-0.742	1.111	0.000	1.336
CHELPG
AIM
ESP

	x	y	z
x	5.627	0.515	0.000
y	0.515	6.201	0.000
z	0.000	0.000	5.883

<r²>	77.015
(<r²>)^1/2	8.776

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)