%chk=000240417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240417

0 1
O -0.102689 -3.114521 -0.916112
O 2.301088 -0.461064 -2.011946
O 1.047374 2.395001 2.095094
O 3.560857 -0.475578 1.532460
O -4.975685 1.170239 0.447143
O -3.858955 0.326856 2.097020
N -3.955904 0.726239 0.947861
C 0.936875 -0.182669 0.523826
C 1.464616 -1.532596 -0.024288
C 1.981288 0.957062 0.426804
C -0.374604 0.223545 -0.124233
C 0.362259 -2.591443 0.069960
C 2.115330 -1.496777 -1.405513
C 1.347092 2.258599 0.932447
C 3.262200 0.650822 1.202062
C -1.520436 0.305782 0.678055
C -0.474733 0.516978 -1.493836
C -0.090949 -2.946789 1.451219
C 2.567813 -2.812480 -1.948919
C 1.134313 3.323624 -0.095246
C 4.141500 1.824181 1.499400
C -2.745053 0.661357 0.096336
C -1.700933 0.876628 -2.060805
C -2.850181 0.949548 -1.271797
H 0.755322 -0.342763 1.626518
H 2.305581 -1.841540 0.681048
H 2.281268 1.064410 -0.659328
H -1.476539 0.106056 1.755580
H 0.418422 0.459376 -2.130664
H -0.412731 -4.000583 1.499489
H 0.669733 -2.798054 2.227348
H -0.975424 -2.355346 1.739728
H 1.695689 -3.427354 -2.249454
H 3.143152 -3.407015 -1.229479
H 3.188931 -2.684468 -2.848619
H 2.064060 3.609968 -0.603871
H 0.429330 2.997107 -0.875889
H 0.711438 4.235965 0.355914
H 5.139749 1.497934 1.834947
H 3.723626 2.430215 2.322492
H 4.285790 2.489160 0.640026
H -1.762268 1.092328 -3.128952
H -3.819110 1.224359 -1.701828


%chk=000240417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240417

0 1
O 0.054387 -3.256350 -0.987274
O 2.411183 -0.463339 -1.982322
O 0.663322 1.990462 2.425713
O 3.351275 -0.172567 1.925902
O -5.191636 1.178985 0.239398
O -3.998960 0.552550 2.078843
N -4.097126 0.811522 0.817726
C 0.830631 -0.169384 0.517356
C 1.476045 -1.523108 0.033399
C 1.808233 1.051243 0.471058
C -0.489865 0.188940 -0.177624
C 0.409478 -2.652379 0.057473
C 2.286651 -1.504638 -1.276349
C 1.191047 2.217765 1.309111
C 3.202030 0.737346 1.067293
C -1.660047 0.334633 0.604344
C -0.579411 0.405781 -1.581061
C -0.197349 -2.983747 1.413129
C 2.978065 -2.795890 -1.668513
C 1.225468 3.602035 0.688944
C 4.368645 1.568725 0.564803
C -2.878129 0.674402 -0.020934
C -1.809807 0.748273 -2.185325
C -2.980171 0.885195 -1.411454
H 0.613594 -0.316372 1.591872
H 2.208975 -1.785685 0.827448
H 1.951696 1.401318 -0.563658
H -1.636893 0.212564 1.691753
H 0.320421 0.304914 -2.195373
H -0.615721 -4.002516 1.388638
H 0.536435 -2.888076 2.232152
H -1.029627 -2.286669 1.629445
H 2.220276 -3.471045 -2.109593
H 3.408113 -3.317563 -0.794744
H 3.760388 -2.592495 -2.415894
H 2.212736 3.834953 0.251406
H 0.496056 3.631007 -0.145127
H 0.947997 4.365877 1.431571
H 5.282829 1.317274 1.123791
H 4.162423 2.650316 0.666503
H 4.527765 1.370767 -0.512493
H -1.856357 0.902845 -3.268104
H -3.946561 1.144428 -1.851232


