%chk=000253679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253679

0 1
Cl 0.623748 -1.965321 -0.528417
O 4.259825 -0.445596 -0.950376
O 4.800712 0.253257 1.159003
O -4.003457 -1.977896 0.850597
N -1.949395 1.667478 -0.116659
N -1.646340 -0.753623 -0.081835
N -3.794706 0.283697 0.346799
C 4.038669 0.617544 -0.007327
C 2.558866 0.750001 0.360338
C 1.691096 0.872315 -0.898386
C 4.516625 -1.665275 -0.210458
C 4.951104 -1.189744 1.185554
C 0.239080 0.720595 -0.571874
C -0.634377 1.832122 -0.419690
C -0.339974 -0.546256 -0.382307
C -0.171963 3.240222 -0.579491
C -2.422273 0.373458 0.047513
C -4.523240 -0.905912 0.698674
C -5.991478 -0.624003 0.861045
H 4.508541 1.520328 -0.435724
H 2.418429 1.618946 1.030065
H 2.244553 -0.129700 0.958692
H 2.005712 0.096289 -1.637616
H 1.887614 1.837271 -1.406887
H 5.303333 -2.176057 -0.787441
H 3.586349 -2.256872 -0.207230
H 4.318532 -1.569263 2.002963
H 6.017179 -1.353824 1.410495
H 0.152511 3.439503 -1.612324
H -0.970980 3.966485 -0.348672
H 0.673376 3.464106 0.088424
H -4.290888 1.186265 0.332842
H -6.200218 0.074618 1.682576
H -6.524367 -1.561399 1.097931
H -6.449998 -0.221558 -0.052695


%chk=000253679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253679

0 1
Cl 0.300793 -2.260354 -0.799443
O 4.379561 -0.544475 -0.877312
O 4.704686 0.347468 1.301410
O -4.544597 -1.971945 0.358611
N -2.047017 1.587134 -0.048187
N -1.906122 -0.828242 -0.220654
N -3.953446 0.317002 0.311883
C 3.941533 0.521709 0.044634
C 2.445504 0.445413 0.365444
C 1.574758 0.629905 -0.907989
C 4.988590 -1.592989 -0.023574
C 5.667439 -0.759457 1.077445
C 0.096248 0.535289 -0.603490
C -0.718089 1.689232 -0.347858
C -0.607150 -0.691391 -0.509085
C -0.152841 3.090595 -0.403597
C -2.586620 0.326970 0.001907
C -4.855731 -0.763540 0.474294
C -6.269559 -0.283255 0.812603
H 4.222059 1.476140 -0.443376
H 2.214103 1.227396 1.114126
H 2.230445 -0.531495 0.834410
H 1.862798 -0.151662 -1.633597
H 1.802599 1.606858 -1.373265
H 5.684758 -2.160404 -0.659324
H 4.209768 -2.263356 0.388960
H 5.785709 -1.288076 2.036714
H 6.639905 -0.354032 0.737582
H 0.154755 3.356262 -1.432571
H -0.921756 3.805140 -0.074261
H 0.737679 3.197121 0.241598
H -4.321242 1.264505 0.439957
H -6.282628 0.283227 1.762394
H -6.922711 -1.161484 0.914713
H -6.671980 0.370989 0.017000


