%chk=000197379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197379

0 1
O -6.488726 0.277153 -0.361892
O 6.209053 -1.307527 0.152348
O 6.100377 0.745066 -0.516209
N 5.585409 -0.309174 -0.175158
C -0.181577 1.941521 -0.122394
C -0.847202 -1.907245 -0.170359
C -0.154576 -0.558947 -0.146027
C -0.875211 0.591972 -0.142282
C 1.144949 1.868831 -0.906579
C -2.154592 -1.815543 -0.985126
C 1.315552 -0.523447 -0.132709
C -2.345512 0.561326 -0.168226
C 1.970759 0.679211 -0.511061
C -2.989650 -0.633825 -0.587924
C 0.042127 2.384568 1.341081
C -1.110776 -2.383263 1.276035
C 2.090512 -1.634159 0.242757
C -3.129291 1.663020 0.206620
C 3.362750 0.746255 -0.527864
C -4.380810 -0.704252 -0.651132
C 0.299481 3.882686 1.461719
C -1.389122 -3.880502 1.354906
C 4.111893 -0.382379 -0.157226
C 3.483127 -1.572413 0.232817
C -4.523220 1.611305 0.160086
C -5.127316 0.423469 -0.275402
H -0.828271 2.697736 -0.635548
H -0.188519 -2.652730 -0.683568
H 1.708549 2.813223 -0.764488
H 0.929427 1.807959 -1.995995
H -2.722517 -2.762160 -0.879556
H -1.913844 -1.730866 -2.067778
H 0.891217 1.817334 1.773232
H -0.837881 2.106218 1.955005
H -1.961457 -1.814846 1.703021
H -0.241431 -2.130787 1.915358
H 1.604453 -2.561219 0.552698
H -2.651375 2.584240 0.547536
H 3.882647 1.663616 -0.823015
H -4.898422 -1.603730 -0.976566
H 1.189702 4.189435 0.899587
H -0.543977 4.475496 1.090968
H 0.465174 4.169520 2.507567
H -2.273581 -4.161132 0.770801
H -0.546855 -4.474344 0.982866
H -1.574855 -4.191264 2.390305
H 4.086838 -2.437801 0.524873
H -5.116971 2.469193 0.454417
H -6.972260 1.094600 -0.085221


%chk=000197379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197379

0 1
O -6.600170 0.188262 -0.308105
O 6.307981 -1.295902 0.150997
O 6.171201 0.918050 -0.393280
N 5.628364 -0.230085 -0.133938
C -0.191417 1.957381 -0.135635
C -0.839600 -1.926488 -0.183854
C -0.135158 -0.567153 -0.253180
C -0.892576 0.599949 -0.246965
C 1.138680 1.919094 -0.924304
C -2.155546 -1.870058 -0.996248
C 1.335959 -0.502995 -0.217014
C -2.367208 0.538753 -0.247594
C 1.997786 0.736562 -0.520792
C -3.021351 -0.692367 -0.589788
C 0.002922 2.342880 1.367454
C -1.063661 -2.345805 1.305297
C 2.141086 -1.639563 0.097199
C -3.180726 1.664264 0.062686
C 3.397712 0.818289 -0.491493
C -4.423252 -0.775434 -0.599949
C 0.463770 3.800557 1.580405
C -1.542431 -3.803162 1.477881
C 4.161298 -0.327795 -0.165600
C 3.542254 -1.563284 0.127305
C -4.586484 1.584565 0.054566
C -5.207998 0.356699 -0.276997
H -0.827162 2.734757 -0.602692
H -0.197063 -2.695210 -0.656856
H 1.694207 2.865744 -0.800716
H 0.899917 1.829951 -2.005602
H -2.714267 -2.817926 -0.899419
H -1.897143 -1.762702 -2.071336
H 0.732590 1.646316 1.823951
H -0.952855 2.180919 1.902452
H -1.793067 -1.651743 1.766101
H -0.115109 -2.207104 1.859487
H 1.667074 -2.596658 0.331563
H -2.718141 2.620089 0.326522
H 3.917365 1.752982 -0.721881
H -4.930541 -1.709361 -0.862010
H 1.460116 3.988120 1.140639
H -0.246788 4.516743 1.124663
H 0.532434 4.035007 2.658181
H -2.535620 -3.969764 1.022187
H -0.833907 -4.515498 1.013113
H -1.625445 -4.063289 2.548782
H 4.163456 -2.428156 0.373692
H -5.190805 2.465968 0.304269
H -7.066482 1.026998 -0.066846


