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	hartrees
Energy at 0K	-172.194200
Energy at 298.15K	-172.202612
HF Energy	-172.194200
Nuclear repulsion energy	124.731792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3445	3263	0.04
2	A'	3283	3110	5.02
3	A'	3184	3015	2.84
4	A'	3103	2939	40.99
5	A'	1706	1616	13.79
6	A'	1521	1440	10.74
7	A'	1426	1350	23.53
8	A'	1237	1172	1.87
9	A'	1191	1128	1.77
10	A'	1087	1030	31.73
11	A'	1020	966	0.92
12	A'	833	789	2.90
13	A'	787	745	3.90
14	A'	665	630	227.02
15	A'	405	384	4.92
16	A"	3548	3361	1.55
17	A"	3270	3097	0.32
18	A"	3179	3011	8.18
19	A"	1493	1414	6.13
20	A"	1279	1212	1.66
21	A"	1217	1152	0.05
22	A"	1155	1094	0.30
23	A"	1113	1054	5.38
24	A"	907	859	4.85
25	A"	858	813	5.16
26	A"	418	396	16.56
27	A"	293	278	37.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.337	0.439	0.000
H2	-1.275	0.995	0.000
N3	0.924	1.149	0.000
C4	-0.337	-0.874	0.761
C5	-0.337	-0.874	-0.761
H6	1.080	1.702	0.844
H7	1.080	1.702	-0.844
H8	-1.242	-1.170	1.274
H9	-1.242	-1.170	-1.274
H10	0.598	-1.121	1.245
H11	0.598	-1.121	-1.245

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0899	1.4465	1.5177	1.5177	2.0769	2.0769	2.2433	2.2433	2.2038	2.2038
H2	1.0899		2.2037	2.2250	2.2250	2.5990	2.5990	2.5120	2.5120	3.0872	3.0872
N3	1.4465	2.2037		2.5018	2.5018	1.0210	1.0210	3.4192	3.4192	2.6088	2.6088
C4	1.5177	2.2250	2.5018		1.5214	2.9412	3.3493	1.0820	2.2464	1.0812	2.2263
C5	1.5177	2.2250	2.5018	1.5214		3.3493	2.9412	2.2464	1.0820	2.2263	1.0812
H6	2.0769	2.5990	1.0210	2.9412	3.3493		1.6874	3.7184	4.2574	2.8917	3.5444
H7	2.0769	2.5990	1.0210	3.3493	2.9412	1.6874		4.2574	3.7184	3.5444	2.8917
H8	2.2433	2.5120	3.4192	1.0820	2.2464	3.7184	4.2574		2.5474	1.8411	3.1196
H9	2.2433	2.5120	3.4192	2.2464	1.0820	4.2574	3.7184	2.5474		3.1196	1.8411
H10	2.2038	3.0872	2.6088	1.0812	2.2263	2.8917	3.5444	1.8411	3.1196		2.4896
H11	2.2038	3.0872	2.6088	2.2263	1.0812	3.5444	2.8917	3.1196	1.8411	2.4896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.513	C1	N3	H7	113.513
C1	C4	C5	59.920	C1	C4	H8	118.322
C1	C4	H10	114.952	C1	C5	C4	59.920
C1	C5	H9	118.322	C1	C5	H11	114.952
H2	C1	N3	119.986	H2	C1	C4	116.172
H2	C1	C5	116.172	N3	C1	C4	115.112
N3	C1	C5	115.112	C4	C1	C5	60.160
C4	C5	H9	118.303	C4	C5	H11	116.598
C5	C4	H8	118.303	C5	C4	H10	116.598
H6	N3	H7	111.446	H8	C4	H10	116.666
H9	C5	H11	116.666

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: M06-2X/3-21G*

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	-0.130
2	H	0.191
3	N	-0.690
4	C	-0.398
5	C	-0.398
6	H	0.280
7	H	0.280
8	H	0.206
9	H	0.206
10	H	0.227
11	H	0.227

	x	y	z	Total
	-0.588	1.165	0.000	1.305
CHELPG
AIM
ESP

	x	y	z
x	4.821	0.632	0.000
y	0.632	5.028	0.000
z	0.000	0.000	5.054

<r²>	77.453
(<r²>)^1/2	8.801

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)