%chk=000240164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240164

0 1
S 0.006325 0.922122 0.188742
F -5.510340 -0.815991 -0.399123
O 4.006736 -1.387405 0.667956
O 0.581176 1.070871 -1.134910
O 0.076283 1.991420 1.161610
N 0.759655 -0.427071 0.961307
C 1.631133 -1.303970 0.144061
C -1.634620 0.406637 0.015349
C 2.992193 -0.745690 -0.072414
C -2.512132 0.503889 1.101830
C -2.076467 -0.093525 -1.215683
C 3.525417 0.262744 -0.831845
C -3.839704 0.089067 0.974709
C -3.398021 -0.515585 -1.371834
C -4.248306 -0.414668 -0.264873
C 4.944255 0.273859 -0.573374
C 5.192047 -0.728870 0.327027
H 1.147912 -1.500931 -0.845245
H 1.704611 -2.295259 0.661599
H 1.173676 -0.246412 1.888988
H -2.164530 0.915913 2.056898
H -1.386082 -0.145648 -2.067679
H 2.991439 0.929695 -1.492564
H -4.531053 0.160491 1.813979
H -3.752469 -0.905418 -2.325605
H 5.646155 0.952992 -1.017616
H 6.048810 -1.125357 0.822810


%chk=000240164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240164

0 1
S 0.034456 0.614627 -0.163768
F -5.884615 -0.450780 0.162225
O 3.963004 -1.242535 0.871165
O 0.418096 0.800706 -1.740389
O 0.370187 1.745493 0.962206
N 0.773945 -1.059127 0.347164
C 1.933572 -1.435854 -0.533395
C -1.810548 0.261917 -0.063171
C 3.231018 -0.753082 -0.242248
C -2.490839 0.678295 1.093101
C -2.431908 -0.370545 -1.153100
C 3.909892 0.318610 -0.799537
C -3.880025 0.436437 1.170300
C -3.820434 -0.611948 -1.076873
C -4.503854 -0.207472 0.085936
C 5.115514 0.517521 -0.021114
C 5.113182 -0.439645 0.978399
H 1.633684 -1.221539 -1.573237
H 2.027463 -2.532274 -0.420290
H 1.074513 -0.903165 1.332169
H -1.954377 1.197337 1.893572
H -1.855245 -0.645810 -2.041106
H 3.570469 0.904606 -1.651186
H -4.467163 0.738786 2.041419
H -4.363509 -1.097675 -1.891847
H 5.878822 1.275718 -0.183466
H 5.788799 -0.690700 1.791172


