%chk=000244860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244860

0 1
O -0.006504 2.751935 -0.047662
O 3.159706 -0.986391 -1.358605
O -3.157350 -0.998363 -1.360097
O 2.985486 0.626001 0.223165
O -2.988475 0.613136 0.223177
N -0.002996 1.147927 1.646317
C -0.001088 0.321627 -0.615829
C 0.001341 -0.809709 0.389946
C -0.003963 1.598213 0.303905
C 1.253974 0.343567 -1.502459
C -1.256030 0.337942 -1.502720
C 0.000095 -0.270939 1.715582
C 0.004341 -2.178656 0.198663
C 0.001830 -1.096963 2.835810
C -0.004912 2.037518 2.817682
C 2.524110 0.065919 -0.739468
C -2.525250 0.055467 -0.739966
C 0.006107 -3.019354 1.327363
C 0.004860 -2.483914 2.616463
C 4.450436 -1.423903 -0.824622
C -4.446770 -1.440514 -0.826776
C 5.538479 -0.460965 -1.250323
C -5.537654 -0.479674 -1.249915
H 1.151231 -0.395729 -2.329820
H 1.352659 1.340725 -1.994542
H -1.358726 1.334419 -1.995368
H -1.150032 -0.401347 -2.329686
H 0.005346 -2.602933 -0.804232
H 0.000877 -0.690185 3.841700
H -0.905433 1.871954 3.433966
H 0.896168 1.875643 3.434121
H -0.007050 3.093025 2.479550
H 0.008463 -4.097846 1.188464
H 0.006260 -3.153137 3.477900
H 4.540318 -2.421155 -1.292326
H 4.362526 -1.509272 0.273274
H -4.358217 -1.528131 0.270883
H -4.534042 -2.436948 -1.296729
H 5.417560 0.517021 -0.759147
H 5.522122 -0.284003 -2.333117
H 6.533791 -0.838180 -0.987670
H -5.521927 -0.299888 -2.332254
H -5.419530 0.497417 -0.756251
H -6.531836 -0.860458 -0.988148


%chk=000244860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244860

0 1
O -0.005710 2.305399 -0.259491
O 3.543159 -0.892591 -1.543209
O -3.540766 -0.904652 -1.544257
O 2.834484 0.248997 0.365070
O -2.835839 0.237515 0.365083
N -0.002550 0.843640 1.608793
C -0.000074 -0.191114 -0.548094
C 0.002007 -1.230688 0.565369
C -0.002960 1.152170 0.248193
C 1.246926 -0.247037 -1.477512
C -1.246594 -0.251976 -1.477817
C 0.000446 -0.555213 1.816501
C 0.005118 -2.630488 0.520351
C 0.001823 -1.257138 3.034920
C -0.005082 1.852576 2.661823
C 2.583936 -0.253467 -0.752870
C -2.583776 -0.262669 -0.753536
C 0.006574 -3.358917 1.741180
C 0.004925 -2.674217 2.978482
C 4.944470 -0.899242 -1.014174
C -4.941981 -0.916851 -1.015057
C 5.670438 0.395999 -1.387726
C -5.672711 0.376068 -1.387359
H 1.202694 -1.129755 -2.138804
H 1.229659 0.652152 -2.127312
H -1.232360 0.646893 -2.128124
H -1.199091 -1.134871 -2.138664
H 0.006431 -3.164264 -0.437663
H 0.000555 -0.736133 3.997490
H -0.907475 1.758443 3.293504
H 0.897307 1.762384 3.294082
H -0.007085 2.841594 2.176229
H 0.008969 -4.453944 1.724255
H 0.006059 -3.246957 3.912901
H 5.395826 -1.782503 -1.493435
H 4.903039 -1.036816 0.080582
H -4.899925 -1.055250 0.079571
H -5.390178 -1.801322 -1.495050
H 5.203959 1.263693 -0.892073
H 5.655498 0.555746 -2.479680
H 6.725542 0.338967 -1.061283
H -5.658412 0.536883 -2.479163
H -5.209394 1.244999 -0.890911
H -6.727581 0.314856 -1.060915


