%chk=000242635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242635

0 1
O -1.758227 -1.590257 0.734893
O -1.840764 1.890858 -0.396392
O -3.056324 -1.626379 -1.475880
O -5.750483 -0.878552 -1.217804
O -4.783362 1.507746 0.593712
N 1.163090 0.846391 0.633597
N 4.225449 -1.187929 -0.174756
N 2.993319 2.191660 -0.227624
N 5.061595 0.870845 -0.727602
N 1.307433 -1.599600 0.728452
C -2.358276 -0.336286 0.430468
C -1.245615 0.654129 -0.004182
C -3.425841 -0.481381 -0.678774
C -0.228483 0.890043 1.136468
C -4.819611 -0.844185 -0.125495
C -5.385788 0.226921 0.824520
C 1.830656 -0.441821 0.497344
C 3.199772 -0.266717 0.039552
C 1.767598 2.067581 0.220510
C 3.747415 1.012649 -0.313976
C 5.331223 -0.464608 -0.632065
C 4.172109 -2.629867 0.070235
H -2.814074 -0.010400 1.396234
H -0.737172 0.318222 -0.938687
H -3.479254 0.430043 -1.319113
H -0.355424 0.128752 1.944914
H -0.426234 1.876829 1.615156
H -4.800734 -1.850681 0.354948
H -5.138239 0.014286 1.881778
H -6.485180 0.299576 0.703321
H -1.822597 -2.207308 -0.052918
H -2.517078 2.191672 0.259336
H -2.522970 -1.341538 -2.250839
H 1.134406 2.968041 0.297829
H -5.459792 -1.550556 -1.879879
H 6.282789 -0.912773 -0.881474
H 3.118085 -2.991142 0.072717
H 4.723371 -3.185269 -0.706219
H 4.597170 -2.875693 1.061266
H -5.157728 1.907247 -0.225233
H 0.337270 -1.694948 1.033463


%chk=000242635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242635

0 1
O -1.880350 -1.872847 0.982715
O -1.711141 1.574943 -0.519899
O -3.406876 -2.119887 -1.135141
O -5.833125 -0.612980 -1.246392
O -4.484816 1.900665 -0.085345
N 1.144672 0.738799 0.794934
N 4.286783 -0.986392 -0.278052
N 2.923763 2.296776 0.224864
N 5.031930 1.175791 -0.474968
N 1.406788 -1.716030 0.585231
C -2.402181 -0.573535 0.550680
C -1.231999 0.323111 0.073683
C -3.476762 -0.740787 -0.574144
C -0.251645 0.597137 1.246208
C -4.926007 -0.567883 -0.089782
C -5.182041 0.787077 0.588910
C 1.871598 -0.483578 0.497940
C 3.220355 -0.159196 0.080591
C 1.694622 2.021053 0.626899
C 3.699766 1.170418 -0.046494
C 5.344148 -0.131876 -0.599040
C 4.307406 -2.461124 -0.292153
H -2.862070 -0.108683 1.445080
H -0.687105 -0.200591 -0.734783
H -3.281430 -0.007351 -1.377559
H -0.300734 -0.222627 1.986849
H -0.554239 1.533383 1.745682
H -5.168271 -1.383311 0.626806
H -4.804388 0.798132 1.622030
H -6.272293 0.967527 0.605959
H -2.252664 -2.546434 0.342338
H -2.614346 1.830975 -0.157202
H -2.837081 -2.124562 -1.944001
H 1.012348 2.846892 0.851535
H -5.647296 -1.454616 -1.738008
H 6.314380 -0.510432 -0.914350
H 3.300055 -2.808573 -0.009864
H 4.563405 -2.829978 -1.300697
H 5.047580 -2.840907 0.433804
H -4.894551 2.045748 -0.974625
H 0.417308 -1.818646 0.881562


