%chk=000268157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268157

0 1
O -0.833888 -0.030557 0.464781
O -0.457271 2.035102 -0.373136
O 6.344439 0.358144 -0.055283
O 5.808970 -1.604789 0.681059
N 5.532452 -0.484040 0.288005
C -4.344481 -0.296537 -0.997742
C -2.798085 -0.186578 -0.946472
C -4.836696 -1.240887 0.129676
C -2.304760 0.192137 0.446254
C -4.321063 -0.836116 1.515536
C -2.790883 -0.750627 1.546836
C -4.981940 1.095846 -0.853671
C -4.748629 -0.893445 -2.360167
C -0.024449 0.974488 0.018852
C 1.410659 0.566679 0.100559
C 2.382519 1.503456 -0.283674
C 1.779430 -0.710621 0.545132
C 3.734708 1.163462 -0.223733
C 3.129847 -1.058997 0.608133
C 4.093078 -0.116450 0.222357
H -2.444377 0.558187 -1.685685
H -2.343210 -1.149404 -1.250420
H -4.514141 -2.275712 -0.094671
H -5.942089 -1.265071 0.136719
H -2.483725 1.262727 0.682287
H -4.666520 -1.568160 2.270915
H -4.760518 0.136018 1.814455
H -2.436186 -0.404171 2.535399
H -2.343262 -1.754782 1.403716
H -6.072618 1.047296 -0.934975
H -4.748270 1.554309 0.112561
H -4.627752 1.781691 -1.631095
H -4.416014 -0.259074 -3.188868
H -4.317208 -1.886992 -2.516664
H -5.835777 -0.991969 -2.446653
H 2.072351 2.496310 -0.628830
H 1.005299 -1.426939 0.840684
H 4.510376 1.879405 -0.518863
H 3.441081 -2.051637 0.952685


%chk=000268157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268157

0 1
O -0.804601 -0.202109 0.494757
O -0.458848 1.945490 -0.360948
O 6.462202 0.605424 -0.123054
O 6.022613 -1.472492 0.707764
N 5.649793 -0.316879 0.270244
C -4.390581 -0.274678 -1.006602
C -2.831535 -0.337484 -0.928962
C -4.989930 -1.152979 0.134737
C -2.297970 0.015524 0.470109
C -4.430302 -0.811879 1.536153
C -2.882606 -0.888340 1.560270
C -4.887644 1.193146 -0.895296
C -4.837052 -0.844900 -2.377160
C -0.008786 0.844850 0.046743
C 1.450016 0.507051 0.117564
C 2.380645 1.491587 -0.304715
C 1.906689 -0.751132 0.589022
C 3.761614 1.229435 -0.258226
C 3.285793 -1.027234 0.641271
C 4.190793 -0.029905 0.216058
H -2.392321 0.345219 -1.680227
H -2.499707 -1.367206 -1.172389
H -4.767049 -2.217745 -0.088085
H -6.093261 -1.051424 0.131923
H -2.467722 1.084832 0.693597
H -4.842885 -1.512939 2.285984
H -4.758046 0.201081 1.842716
H -2.489501 -0.591541 2.550015
H -2.557166 -1.930738 1.372322
H -5.988630 1.235766 -0.994693
H -4.620842 1.662998 0.067940
H -4.449517 1.814083 -1.698667
H -4.418999 -0.250670 -3.211508
H -4.501232 -1.891779 -2.503380
H -5.939598 -0.828241 -2.469492
H 1.998766 2.452151 -0.663992
H 1.175488 -1.496785 0.910232
H 4.502524 1.967172 -0.575930
H 3.670792 -1.985026 0.999904


