%chk=000237717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237717

0 1
O 5.388927 -0.889297 -0.362222
O 4.307151 0.888352 1.485455
O -3.319330 2.361976 -0.162329
O -3.346877 -2.292867 0.422720
O -1.451377 3.601643 -0.446883
O -1.496498 -3.590284 0.425465
N 2.216674 -0.100290 -0.634392
C 0.825853 -0.045803 -0.321513
C 2.984287 -1.255936 -0.069470
C 2.974892 1.180474 -0.559046
C 0.095685 -1.233930 -0.086194
C 0.112342 1.172991 -0.380605
C 4.231294 -1.537823 -0.920999
C 3.284768 1.675675 0.862236
C -1.291650 -1.195441 0.076501
C -1.276615 1.190013 -0.216761
C -1.996355 0.012617 0.014471
C -1.956194 2.512163 -0.293372
C -1.987128 -2.488593 0.320338
C -4.110262 3.580521 -0.217641
C -4.152527 -3.478842 0.663216
H 2.334314 -2.162677 -0.058925
H 3.287080 -1.059164 0.990483
H 3.934743 1.029000 -1.113426
H 2.421783 1.962085 -1.129650
H 0.609321 -2.202277 -0.037555
H 0.630881 2.119884 -0.565251
H 4.167359 -1.103259 -1.938934
H 4.429761 -2.620559 -1.001512
H 2.427434 1.575415 1.554505
H 3.623856 2.728844 0.850851
H -3.083941 0.035105 0.143158
H 5.670055 -1.346904 0.459764
H 5.017739 0.669721 0.823452
H -3.827395 4.238114 0.610372
H -3.952277 4.078492 -1.179630
H -5.132548 3.202067 -0.112703
H -4.015532 -4.189182 -0.158332
H -5.168592 -3.071123 0.690094
H -3.864299 -3.929901 1.617965


%chk=000237717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237717

0 1
O 5.351500 -0.844809 0.040985
O 3.976071 0.900764 1.719431
O -3.349787 2.442379 -0.141922
O -3.358873 -2.357432 0.530621
O -1.387104 3.629701 -0.537621
O -1.400991 -3.614106 0.458487
N 2.233299 -0.072612 -0.555732
C 0.845707 -0.037770 -0.334193
C 2.915014 -1.378686 -0.419820
C 3.007068 1.186406 -0.558851
C 0.102919 -1.226963 -0.059616
C 0.107326 1.183971 -0.396098
C 4.370327 -1.433817 -0.907397
C 3.239543 1.805211 0.841511
C -1.302244 -1.195611 0.102792
C -1.295693 1.204133 -0.229515
C -2.023436 0.016140 0.016785
C -1.966959 2.535005 -0.322648
C -1.977303 -2.499233 0.375600
C -4.086872 3.724156 -0.216741
C -4.098868 -3.609925 0.805041
H 2.361716 -2.114640 -1.039209
H 2.873806 -1.742645 0.631634
H 3.990300 0.993579 -1.018939
H 2.508194 1.924887 -1.213817
H 0.584148 -2.201633 0.048863
H 0.593163 2.146212 -0.575388
H 4.500808 -0.887283 -1.855553
H 4.633669 -2.493794 -1.086568
H 2.281960 2.016895 1.347564
H 3.784149 2.767191 0.708158
H -3.105572 0.037195 0.146330
H 5.664199 -1.543203 0.667000
H 4.638324 0.396882 1.158631
H -3.727932 4.417980 0.562127
H -3.945464 4.190069 -1.206616
H -5.138863 3.452244 -0.052151
H -3.967605 -4.322689 -0.026679
H -5.148831 -3.299709 0.900074
H -3.734010 -4.073443 1.737146


