%chk=000241281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241281

0 1
O -1.305275 0.128015 -0.843315
O -1.431689 -1.187129 1.092783
O 4.776411 0.767514 -1.545472
O 3.006710 1.101165 -2.741632
N 3.580013 0.652281 -1.762386
C -3.399992 0.150544 0.435743
C -2.755781 0.228678 -0.981853
C -2.874891 -1.153319 1.093918
C -2.994107 1.348535 1.296980
C -4.925043 0.058842 0.307775
C -0.850761 -1.072410 -0.216380
C -2.932347 1.546957 -1.714908
C 0.637817 -0.914123 -0.015079
C 1.388231 -0.202915 -0.958072
C 1.260291 -1.478236 1.107866
C 2.772662 -0.087935 -0.769495
C 2.643087 -1.350991 1.282673
C 3.409270 -0.657782 0.345700
H -3.091499 -0.628872 -1.606914
H -3.102010 -1.199758 2.174116
H -3.252940 -2.060904 0.595522
H -3.366994 2.293551 0.890929
H -3.365105 1.260307 2.322547
H -1.895118 1.416825 1.346667
H -5.341900 0.971220 -0.136069
H -5.244225 -0.782538 -0.315647
H -5.400982 -0.057949 1.288741
H -1.134291 -1.954792 -0.827517
H -2.584654 1.470936 -2.753300
H -3.976973 1.873217 -1.723979
H -2.330101 2.339947 -1.245615
H 0.899371 0.267683 -1.822443
H 0.652497 -2.006219 1.850075
H 3.122657 -1.791433 2.157362
H 4.492261 -0.549413 0.467779


%chk=000241281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241281

0 1
O -1.249306 0.341621 -0.736147
O -1.390547 -1.026584 1.249848
O 4.977246 0.517602 -1.693912
O 3.074239 1.094235 -2.808774
N 3.691968 0.521917 -1.829775
C -3.445690 0.190814 0.452007
C -2.728661 0.328096 -0.934416
C -2.862568 -1.084192 1.128738
C -3.194888 1.422296 1.353448
C -4.962504 -0.040796 0.242562
C -0.800851 -0.877524 -0.078088
C -3.046438 1.584334 -1.743675
C 0.708370 -0.831976 0.054720
C 1.476395 -0.167218 -0.924341
C 1.351745 -1.481072 1.136490
C 2.880828 -0.174467 -0.800268
C 2.761814 -1.470891 1.239521
C 3.545047 -0.817511 0.267293
H -2.977860 -0.582291 -1.532200
H -3.232482 -1.191505 2.161657
H -3.144324 -1.988908 0.542131
H -3.647330 2.333803 0.924598
H -3.644382 1.264428 2.351596
H -2.113986 1.595841 1.486058
H -5.456316 0.866510 -0.147510
H -5.158276 -0.868427 -0.466565
H -5.451513 -0.296015 1.201505
H -1.135614 -1.749275 -0.698294
H -2.514336 1.551504 -2.709583
H -4.128400 1.662325 -1.947298
H -2.718547 2.490054 -1.207160
H 0.997429 0.358933 -1.752849
H 0.737981 -1.972391 1.896724
H 3.249794 -1.971429 2.081866
H 4.636565 -0.792341 0.317191


