%chk=000245417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245417

0 1
O -1.581162 0.323971 -1.180393
O -0.727957 1.729693 0.397518
N 0.673665 0.285434 -0.826052
C 0.653733 -0.855645 -1.794362
C 0.741811 -2.219034 -1.095139
C -0.570842 -2.607345 -0.402663
C 1.911989 0.602690 -0.156117
C -3.485456 0.176513 0.330180
C -2.916275 0.860520 -0.907780
C -0.542935 0.859148 -0.428936
C -4.972959 0.503415 0.506905
C -0.484331 -3.990797 0.235630
C 1.926562 1.240677 1.098417
C 3.128996 0.275379 -0.788576
C -5.548859 -0.169721 1.750083
C 3.146172 1.543193 1.704587
C 4.338029 0.584045 -0.164051
C 4.355118 1.215646 1.082682
H 1.507815 -0.728030 -2.499752
H -0.274622 -0.788114 -2.411482
H 1.013084 -2.988940 -1.844231
H 1.569709 -2.217414 -0.357142
H -0.824228 -1.851501 0.367954
H -1.405347 -2.576680 -1.131342
H -3.334650 -0.918688 0.257665
H -2.912570 0.497366 1.226233
H -2.850819 1.957574 -0.799270
H -3.438147 0.586994 -1.842345
H -5.541658 0.182598 -0.388138
H -5.110760 1.601010 0.580990
H -0.277056 -4.769199 -0.507130
H -1.424233 -4.255517 0.733359
H 0.308802 -4.038498 0.991011
H 0.992950 1.518063 1.598114
H 3.136232 -0.206129 -1.765059
H -5.462310 -1.261041 1.697539
H -5.031917 0.155527 2.661013
H -6.611116 0.070067 1.874038
H 3.151133 2.040722 2.674732
H 5.275839 0.330972 -0.657863
H 5.300369 1.453575 1.563574


%chk=000245417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245417

0 1
O -1.717204 0.371189 -1.248610
O -0.772416 1.798249 0.344206
N 0.549914 0.190139 -0.800099
C 0.553651 -0.896311 -1.827278
C 0.882034 -2.287726 -1.238196
C -0.154827 -2.780924 -0.204259
C 1.795915 0.523396 -0.145066
C -3.714273 0.255806 0.241640
C -3.040337 0.979363 -0.931391
C -0.634733 0.862126 -0.487710
C -5.128635 0.815929 0.524443
C 0.174838 -4.189673 0.333275
C 1.835457 1.087993 1.160473
C 3.026958 0.252876 -0.804572
C -5.826397 0.084573 1.691499
C 3.073397 1.375343 1.772630
C 4.258478 0.545181 -0.181005
C 4.294445 1.109119 1.113047
H 1.270485 -0.634715 -2.627623
H -0.445302 -0.913127 -2.282735
H 0.928756 -3.003038 -2.085209
H 1.888510 -2.280332 -0.776206
H -0.196827 -2.063747 0.638982
H -1.162644 -2.779888 -0.666011
H -3.779334 -0.826559 0.014500
H -3.083849 0.368612 1.143815
H -2.895411 2.051127 -0.706461
H -3.611352 0.860089 -1.867765
H -5.751287 0.731531 -0.389781
H -5.055909 1.897513 0.756957
H 0.190201 -4.935390 -0.484282
H -0.570997 -4.521561 1.078611
H 1.168197 -4.205312 0.820096
H 0.905304 1.323759 1.677630
H 3.039971 -0.175949 -1.810154
H -5.940655 -0.993689 1.472403
H -5.238687 0.177654 2.623718
H -6.832669 0.499909 1.882632
H 3.077245 1.811566 2.777967
H 5.190919 0.331409 -0.715622
H 5.250868 1.335986 1.595911


