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	hartrees
Energy at 0K	-172.030821
Energy at 298.15K	-172.039407
Nuclear repulsion energy	124.952788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3792	3412	0.60
2	A	3442	3097	46.85
3	A	3340	3006	14.71
4	A	3294	2964	65.37
5	A	1829	1646	34.62
6	A	1643	1479	15.23
7	A	1547	1392	25.75
8	A	1355	1219	4.57
9	A	1280	1152	7.14
10	A	1200	1080	14.53
11	A	1078	970	1.43
12	A	889	800	4.56
13	A	841	757	13.32
14	A	660	594	318.66
15	A	442	398	10.20
16	A	3917	3525	7.19
17	A	3427	3084	0.02
18	A	3325	2993	37.97
19	A	1604	1444	5.03
20	A	1357	1221	9.90
21	A	1316	1184	1.17
22	A	1262	1135	1.15
23	A	1231	1108	3.30
24	A	977	879	3.57
25	A	918	826	20.87
26	A	427	384	4.16
27	A	289	260	38.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.536	0.000
H2	-0.401	1.536	0.000
N3	1.434	0.407	0.000
C4	-0.798	-0.504	0.760
C5	-0.798	-0.504	-0.760
H6	1.901	0.687	0.836
H7	1.901	0.687	-0.836
H8	-1.688	-0.192	1.272
H9	-1.688	-0.192	-1.272
H10	-0.242	-1.274	1.257
H11	-0.242	-1.274	-1.257

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0778	1.4393	1.5148	1.5148	2.0817	2.0817	2.2355	2.2355	2.2165	2.2165
H2	1.0778		2.1544	2.2127	2.2127	2.5919	2.5919	2.5023	2.5023	3.0825	3.0825
N3	1.4393	2.1544		2.5271	2.5271	0.9975	0.9975	3.4236	3.4236	2.6854	2.6854
C4	1.5148	2.2127	2.5271		1.5202	2.9503	3.3534	1.0730	2.2401	1.0720	2.2293
C5	1.5148	2.2127	2.5271	1.5202		3.3534	2.9503	2.2401	1.0730	2.2293	1.0720
H6	2.0817	2.5919	0.9975	2.9503	3.3534		1.6715	3.7204	4.2536	2.9346	3.5795
H7	2.0817	2.5919	0.9975	3.3534	2.9503	1.6715		4.2536	3.7204	3.5795	2.9346
H8	2.2355	2.5023	3.4236	1.0730	2.2401	3.7204	4.2536		2.5436	1.8061	3.1072
H9	2.2355	2.5023	3.4236	2.2401	1.0730	4.2536	3.7204	2.5436		3.1072	1.8061
H10	2.2165	3.0825	2.6854	1.0720	2.2293	2.9346	3.5795	1.8061	3.1072		2.5132
H11	2.2165	3.0825	2.6854	2.2293	1.0720	3.5795	2.9346	3.1072	1.8061	2.5132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	116.183	C1	N3	H7	116.183
C1	C4	C5	59.882	C1	C4	H8	118.502
C1	C4	H10	116.893	C1	C5	C4	59.882
C1	C5	H9	118.502	C1	C5	H11	116.893
H2	C1	N3	116.985	H2	C1	C4	116.158
H2	C1	C5	116.158	N3	C1	C4	117.591
N3	C1	C5	117.591	C4	C1	C5	60.236
C4	C5	H9	118.480	C4	C5	H11	117.591
C5	C4	H8	118.480	C5	C4	H10	117.591
H6	N3	H7	113.837	H8	C4	H10	114.709
H9	C5	H11	114.709

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/LANL2DZ

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	-0.035
2	H	0.185
3	N	-0.764
4	C	-0.394
5	C	-0.394
6	H	0.308
7	H	0.308
8	H	0.188
9	H	0.188
10	H	0.205
11	H	0.205

	x	y	z	Total
	0.108	1.204	0.000	1.209
CHELPG
AIM
ESP

	x	y	z
x	5.505	0.400	0.000
y	0.400	4.676	0.000
z	0.000	0.000	5.431

<r²>	78.171
(<r²>)^1/2	8.841

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)