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	hartrees
Energy at 0K	-173.193487
Energy at 298.15K	-173.201920
Nuclear repulsion energy	124.997337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3478	3356	2.22
2	A	3247	3134	13.50
3	A	3145	3035	5.17
4	A	3062	2955	56.42
5	A	1640	1582	10.41
6	A	1495	1442	22.93
7	A	1397	1348	13.89
8	A	1244	1201	0.14
9	A	1177	1135	8.10
10	A	1053	1016	8.65
11	A	1015	980	10.86
12	A	867	837	104.80
13	A	828	799	26.14
14	A	769	742	3.10
15	A	407	393	5.06
16	A	3554	3430	0.28
17	A	3235	3122	0.32
18	A	3139	3029	18.01
19	A	1417	1368	2.92
20	A	1273	1229	0.77
21	A	1181	1139	0.11
22	A	1114	1075	0.39
23	A	1052	1015	0.89
24	A	912	880	11.04
25	A	833	804	1.66
26	A	395	381	8.06
27	A	283	273	32.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.529	0.000
H2	-0.429	1.543	0.000
N3	1.431	0.380	0.000
C4	-0.787	-0.509	0.754
C5	-0.787	-0.509	-0.754
H6	1.828	0.852	0.815
H7	1.828	0.852	-0.815
H8	-1.694	-0.197	1.278
H9	-1.694	-0.197	-1.278
H10	-0.205	-1.288	1.250
H11	-0.205	-1.288	-1.250

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1011	1.4392	1.5053	1.5053	2.0268	2.0268	2.2424	2.2424	2.2147	2.2147
H2	1.1011		2.1945	2.2152	2.2152	2.4970	2.4970	2.5019	2.5019	3.1026	3.1026
N3	1.4392	2.1945		2.5062	2.5062	1.0217	1.0217	3.4251	3.4251	2.6492	2.6492
C4	1.5053	2.2152	2.5062		1.5078	2.9485	3.3392	1.0922	2.2463	1.0919	2.2273
C5	1.5053	2.2152	2.5062	1.5078		3.3392	2.9485	2.2463	1.0922	2.2273	1.0919
H6	2.0268	2.4970	1.0217	2.9485	3.3392		1.6295	3.7032	4.2282	2.9827	3.6014
H7	2.0268	2.4970	1.0217	3.3392	2.9485	1.6295		4.2282	3.7032	3.6014	2.9827
H8	2.2424	2.5019	3.4251	1.0922	2.2463	3.7032	4.2282		2.5554	1.8461	3.1298
H9	2.2424	2.5019	3.4251	2.2463	1.0922	4.2282	3.7032	2.5554		3.1298	1.8461
H10	2.2147	3.1026	2.6492	1.0919	2.2273	2.9827	3.6014	1.8461	3.1298		2.4995
H11	2.2147	3.1026	2.6492	2.2273	1.0919	3.6014	2.9827	3.1298	1.8461	2.4995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.734	C1	N3	H7	109.734
C1	C4	C5	59.945	C1	C4	H8	118.514
C1	C4	H10	116.109	C1	C5	C4	59.945
C1	C5	H9	118.514	C1	C5	H11	116.109
H2	C1	N3	118.907	H2	C1	C4	115.536
H2	C1	C5	115.536	N3	C1	C4	116.658
N3	C1	C5	116.658	C4	C1	C5	60.110
C4	C5	H9	118.659	C4	C5	H11	117.009
C5	C4	H8	118.659	C5	C4	H10	117.009
H6	N3	H7	105.782	H8	C4	H10	115.390
H9	C5	H11	115.390

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3PW91/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	-0.098
2	H	0.011
3	N	-0.180
4	C	-0.046
5	C	-0.046
6	H	0.091
7	H	0.091
8	H	0.042
9	H	0.042
10	H	0.046
11	H	0.046

	x	y	z	Total
	0.138	1.300	0.000	1.307
CHELPG
AIM
ESP

<r²>	77.455
(<r²>)^1/2	8.801

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)