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	hartrees
Energy at 0K	-248.456668
Energy at 298.15K	-248.464621
Nuclear repulsion energy	176.396830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3604	26.81
2	A	3483	3465	19.62
3	A	3060	3044	17.41
4	A	3036	3020	33.32
5	A	2988	2972	24.07
6	A	2974	2958	30.77
7	A	2953	2937	24.37
8	A	1684	1676	317.59
9	A	1574	1566	85.76
10	A	1475	1467	9.17
11	A	1462	1455	7.89
12	A	1437	1429	5.22
13	A	1375	1368	7.67
14	A	1348	1341	46.52
15	A	1259	1252	43.26
16	A	1236	1230	85.82
17	A	1087	1081	2.68
18	A	1064	1058	1.51
19	A	1013	1007	9.43
20	A	973	968	1.22
21	A	789	785	4.49
22	A	760	756	3.42
23	A	661	658	2.83
24	A	579	576	8.44
25	A	502	499	7.48
26	A	419	416	2.68
27	A	250	248	7.61
28	A	210	209	5.21
29	A	185	184	195.44
30	A	44	44	3.57

Atom	x (Å)	y (Å)	z (Å)
H1	-2.583	-0.160	-0.320
H2	-1.669	-1.648	-0.204
N3	-1.690	-0.633	-0.193
O4	-0.623	1.372	0.098
C5	-0.570	0.134	0.068
H6	0.829	-0.712	1.443
H7	0.632	-1.692	-0.019
C8	0.725	-0.653	0.344
H9	2.887	-0.506	0.038
H10	1.923	0.041	-1.361
H11	2.041	1.071	0.085
C12	1.971	0.029	-0.260

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7502	1.0179	2.5220	2.0705	3.8799	3.5742	3.4093	5.4918	4.6288	4.8022	4.5582
H2	1.7502		1.0159	3.2102	2.1114	3.1355	2.3095	2.6497	4.7029	4.1350	4.6092	4.0087
N3	1.0179	1.0159		2.2892	1.3821	3.0050	2.5587	2.4740	4.5843	3.8567	4.1114	3.7213
O4	2.5220	3.2102	2.2892		1.2391	2.8738	3.3129	2.4448	3.9808	3.2219	2.6814	2.9428
C5	2.0705	2.1114	1.3821	1.2391		2.1360	2.1883	1.5403	3.5158	2.8758	2.7747	2.5649
H6	3.8799	3.1355	3.0050	2.8738	2.1360		1.7714	1.1058	2.4997	3.1026	2.5473	2.1803
H7	3.5742	2.3095	2.5587	3.3129	2.1883	1.7714		1.1042	2.5474	2.5436	3.1029	2.1937
C8	3.4093	2.6497	2.4740	2.4448	1.5403	1.1058	1.1042		2.1882	2.1965	2.1845	1.5440
H9	5.4918	4.7029	4.5843	3.9808	3.5158	2.4997	2.5474	2.1882		1.7848	1.7898	1.1016
H10	4.6288	4.1350	3.8567	3.2219	2.8758	3.1026	2.5436	2.1965	1.7848		1.7794	1.1020
H11	4.8022	4.6092	4.1114	2.6814	2.7747	2.5473	3.1029	2.1845	1.7898	1.7794		1.0996
C12	4.5582	4.0087	3.7213	2.9428	2.5649	2.1803	2.1937	1.5440	1.1016	1.1020	1.0996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	118.755	H1	N3	C5	118.452
H2	N3	C5	122.672	N3	C5	O4	121.604
N3	C5	C8	115.569	O4	C5	C8	122.817
C5	C8	H6	106.497	C5	C8	H7	110.597
C5	C8	C12	112.525	H6	C8	H7	106.555
H6	C8	C12	109.630	H7	C8	C12	110.770
C8	C12	H9	110.494	C8	C12	H10	111.122
C8	C12	H11	110.315	H9	C12	H10	108.179
H9	C12	H11	108.801	H10	C12	H11	107.842

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: BLYP/6-31+G**

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	H	0.304
2	H	0.282
3	N	-0.515
4	O	-0.495
5	C	0.347
6	H	0.169
7	H	0.122
8	C	-0.170
9	H	0.139
10	H	0.151
11	H	0.180
12	C	-0.515

	x	y	z	Total
	-0.538	-3.746	-0.114	3.786
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	131.274
(<r²>)^1/2	11.457

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)