%chk=000190173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190173

0 1
O 0.614307 1.124525 -0.636217
O -1.578395 1.251269 1.286267
O -3.137321 1.854855 -0.219365
O 2.087918 2.854924 2.201023
O 2.026553 -0.712574 -0.376259
O 4.176422 2.969250 0.194516
O 4.143626 0.445606 -1.452274
O -2.048086 -1.549006 0.674891
O -4.849614 -1.905800 -0.130322
O -5.876910 0.482516 -0.142628
N 1.037965 -3.191598 -2.458775
C 0.762777 1.582282 0.739671
C 1.952332 2.562706 0.806101
C 3.241138 1.886594 0.285539
C 3.032594 1.263305 -1.113956
C 1.724661 0.437675 -1.181860
C -0.569709 2.261700 1.071898
C -2.214771 0.794291 0.095166
C -2.986947 -0.471661 0.523112
C -3.922258 -0.923358 -0.612918
C -4.837926 0.229770 -1.090599
C -4.084523 1.560595 -1.257887
C 0.993250 -1.727059 -0.281889
C 1.378318 -2.501759 0.972501
C 1.022632 -2.552386 -1.498581
C 2.561986 -3.398056 0.851130
C 0.678824 -2.338555 2.096551
H 0.938469 0.689963 1.384791
H 1.761911 3.511445 0.253878
H 3.628832 1.135032 1.010293
H 3.042625 2.054494 -1.904546
H 1.391069 0.158684 -2.201338
H -0.897997 2.976642 0.297079
H -0.515839 2.763891 2.062175
H -1.496197 0.649254 -0.736801
H -3.540441 -0.301489 1.474674
H -3.338611 -1.373493 -1.448004
H -5.335825 -0.061373 -2.048113
H -3.563185 1.607047 -2.229827
H -4.792239 2.413624 -1.150154
H 2.882842 3.426609 2.340020
H 5.019619 2.652093 -0.207274
H 4.117888 -0.405705 -0.943074
H -0.013862 -1.225729 -0.188680
H -1.563778 -1.447649 1.540943
H -4.357979 -2.636935 0.313260
H -6.193898 -0.373481 0.248278
H 2.928376 -3.749284 1.825686
H 3.401054 -2.888485 0.353105
H 2.328135 -4.294221 0.254498
H -0.179907 -1.681478 2.190581
H 0.911194 -2.851409 3.020414


%chk=000190173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190173

0 1
O 0.616607 1.148174 -0.637616
O -1.681057 1.616330 1.281880
O -3.406285 2.000330 -0.290419
O 2.014006 3.397593 2.002600
O 2.043645 -0.753914 -0.131467
O 4.315205 2.906504 0.365111
O 4.275819 0.433706 -1.236795
O -2.125051 -1.177489 1.249568
O -4.652566 -2.025992 0.070136
O -5.975382 0.336462 -0.175795
N 1.052220 -2.901127 -2.691117
C 0.718582 1.830374 0.691975
C 1.936419 2.774885 0.681651
C 3.199105 1.957063 0.380371
C 3.076426 1.236074 -0.974575
C 1.788008 0.387443 -1.027670
C -0.603434 2.559179 0.922455
C -2.393224 1.043572 0.173991
C -3.100471 -0.205994 0.716286
C -3.855448 -0.895813 -0.422094
C -4.854726 0.086227 -1.078286
C -4.176750 1.428418 -1.413533
C 1.042588 -1.856852 -0.221675
C 1.405402 -2.908031 0.826869
C 1.055993 -2.433843 -1.592935
C 2.831280 -3.415259 0.814648
C 0.443133 -3.350064 1.676760
H 0.862840 1.064786 1.480030
H 1.818112 3.547020 -0.110066
H 3.344810 1.204199 1.185349
H 3.045591 1.984312 -1.785058
H 1.567902 0.032589 -2.051073
H -0.893511 3.151019 0.034547
H -0.490535 3.227018 1.790720
H -1.701753 0.795083 -0.662688
H -3.806022 0.116957 1.506627
H -3.116908 -1.243488 -1.176676
H -5.219627 -0.367105 -2.026379
H -3.514248 1.289962 -2.296494
H -4.947825 2.178892 -1.643966
H 2.895932 3.848803 2.063377
H 5.118082 2.428489 0.031316
H 4.158632 -0.429312 -0.756222
H 0.029053 -1.453950 -0.021081
H -1.641450 -0.712694 1.981697
H -4.079517 -2.570287 0.667985
H -6.224389 -0.546825 0.209301
H 2.978441 -4.201043 1.573550
H 3.541807 -2.594168 1.021758
H 3.096416 -3.835308 -0.174853
H -0.584294 -2.970758 1.634417
H 0.663515 -4.124048 2.420255


