%chk=000236583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236583

0 1
O 0.162327 2.020359 0.540947
O -0.186079 -2.312257 0.503272
O 0.631482 -1.911318 -1.538467
N -3.613707 0.060423 0.250683
C 0.063975 0.979204 -0.459565
C -1.426629 0.674816 -0.696142
C 0.821213 -0.197160 0.241054
C -2.180510 0.326334 0.598269
C 0.743751 1.419496 -1.751233
C 2.317369 0.028394 0.282963
C 0.457884 -1.507992 -0.412900
C -4.413507 1.331177 0.243274
C -4.224163 -0.963030 1.163370
C 2.820096 0.910317 1.254975
C 3.199926 -0.596170 -0.608116
C -5.691506 1.139232 -0.575169
C -3.621341 -2.341673 0.887094
C 4.193017 1.143864 1.346050
C 4.574785 -0.360298 -0.509521
C 5.074916 0.504357 0.467627
H -1.911103 1.544531 -1.182566
H -1.548515 -0.147760 -1.431456
H 0.450141 -0.219265 1.311137
H -1.734585 -0.590434 1.051700
H -2.044991 1.139476 1.343819
H 0.166852 2.167953 -2.301591
H 1.738443 1.844117 -1.553629
H 0.896608 0.563169 -2.427061
H -0.063026 2.890764 0.166628
H -3.797692 2.128901 -0.228829
H -4.663537 1.688928 1.265510
H -5.318004 -0.995221 0.957131
H -4.109441 -0.703801 2.238087
H 2.127296 1.428380 1.921553
H 2.825464 -1.262234 -1.388835
H -6.202296 2.092989 -0.738448
H -5.463097 0.703067 -1.557588
H -6.395723 0.458898 -0.083214
H -3.720946 -2.603491 -0.174614
H -2.548924 -2.369568 1.126336
H -4.121565 -3.115159 1.477129
H 4.577475 1.826216 2.102363
H 5.256248 -0.853879 -1.200926
H -0.450397 -3.193308 0.121929
H 6.145415 0.682657 0.543669


%chk=000236583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236583

0 1
O 0.184399 2.072886 0.391883
O 0.112751 -2.490425 0.504724
O 0.730244 -1.899539 -1.644700
N -3.654499 0.052354 0.314455
C 0.062032 0.934627 -0.562842
C -1.442214 0.584402 -0.740061
C 0.848876 -0.211688 0.184796
C -2.198703 0.248359 0.564963
C 0.689467 1.317362 -1.915604
C 2.360009 0.049916 0.299503
C 0.576156 -1.568412 -0.446574
C -4.394790 1.342333 0.252002
C -4.277033 -0.913626 1.260097
C 2.831870 0.805307 1.403289
C 3.294792 -0.414345 -0.661677
C -5.692996 1.254446 -0.573610
C -3.885627 -2.376047 0.971867
C 4.207570 1.090235 1.546171
C 4.672228 -0.133110 -0.515269
C 5.135109 0.619212 0.587923
H -1.926287 1.454432 -1.228947
H -1.552007 -0.260306 -1.445870
H 0.435571 -0.239157 1.206880
H -1.798692 -0.689280 0.987467
H -2.009366 1.049595 1.318736
H 0.092024 2.115495 -2.398159
H 1.721553 1.681603 -1.779482
H 0.712286 0.449151 -2.596221
H -0.023375 2.908434 -0.097903
H -3.730458 2.090410 -0.219475
H -4.622454 1.731126 1.278033
H -5.373873 -0.820378 1.160577
H -4.032945 -0.659752 2.324048
H 2.112380 1.183289 2.136592
H 2.949399 -0.995861 -1.523311
H -6.190656 2.241459 -0.619854
H -5.465572 0.921541 -1.601271
H -6.412999 0.538426 -0.137355
H -4.166522 -2.645318 -0.061467
H -2.799015 -2.541860 1.087652
H -4.404630 -3.058288 1.671138
H 4.554542 1.676857 2.404407
H 5.382294 -0.502922 -1.263744
H -0.021155 -3.373421 0.061838
H 6.203712 0.834478 0.701054


