%chk=000251099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251099

0 1
O -3.349652 3.746300 -0.537909
O 1.146404 -0.289419 -1.459269
O -1.544417 -2.348208 -1.796950
O 4.557608 -0.058056 0.973974
O 4.141487 2.170228 0.870641
N -1.769971 1.383567 -0.160358
N 2.471982 -0.074358 -1.174302
C -1.648276 -1.102870 0.252347
C -1.102839 0.093947 -0.581809
C -0.895490 -1.348004 1.567924
C -1.476126 -2.551118 2.319063
C -1.704851 -2.375925 -0.596938
C -1.367456 -3.819151 1.464498
C -2.078435 -3.654448 0.119384
C -1.250857 2.550079 -0.957342
C -3.260288 1.310975 -0.350116
C 0.373305 0.251489 -0.405805
C -1.914243 3.832852 -0.430645
C -3.879116 2.614668 0.178800
C 1.217655 0.808813 0.521260
C 2.546767 0.579317 -0.005879
C 3.804509 1.036741 0.634123
C 5.843752 0.212947 1.599273
H -2.721727 -0.874213 0.523858
H -1.296582 -0.138756 -1.677225
H -0.949638 -0.433972 2.192754
H 0.182230 -1.523832 1.374471
H -2.530328 -2.363463 2.597552
H -0.934237 -2.692344 3.274461
H -1.794172 -4.684737 2.007317
H -0.299954 -4.067028 1.293030
H -3.179581 -3.670959 0.258317
H -1.855975 -4.521169 -0.540272
H -1.441976 2.444901 -2.047577
H -0.150384 2.630535 -0.824518
H -3.655022 0.445462 0.231431
H -3.552918 1.158386 -1.412157
H -1.643409 4.031714 0.621456
H -1.681007 4.709437 -1.060951
H -4.960351 2.679176 -0.035982
H -3.690707 2.749750 1.258719
H 0.973014 1.321033 1.433667
H 5.704642 0.834519 2.489250
H 6.499609 0.706872 0.875232
H 6.196619 -0.793876 1.849602


%chk=000251099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251099

0 1
O -3.211864 3.817917 -0.503209
O 1.172091 0.208812 -1.619816
O -0.184391 -2.588478 -1.239571
O 4.972624 0.605323 0.065570
O 3.867988 0.490558 2.118635
N -1.720624 1.320604 -0.154867
N 2.583402 0.348510 -1.293116
C -1.696110 -1.196323 0.109313
C -1.077230 0.039242 -0.614676
C -1.678251 -1.137607 1.667015
C -2.402622 -2.358147 2.276315
C -1.095525 -2.527361 -0.372669
C -1.740483 -3.677316 1.818426
C -1.693814 -3.779080 0.267502
C -1.129713 2.508480 -0.845705
C -3.198735 1.332463 -0.353626
C 0.419122 0.136662 -0.432650
C -1.752384 3.804635 -0.309345
C -3.792613 2.651411 0.171675
C 1.283407 0.245399 0.641897
C 2.595964 0.364804 0.068795
C 3.846349 0.489599 0.862493
C 6.259832 0.725114 0.794022
H -2.765847 -1.251763 -0.189024
H -1.237966 -0.112774 -1.711885
H -2.134894 -0.186487 1.994564
H -0.631423 -1.130834 2.024092
H -3.470159 -2.351714 1.971865
H -2.385493 -2.290395 3.380554
H -2.284079 -4.550066 2.225739
H -0.707812 -3.726382 2.216565
H -2.730574 -3.896386 -0.113137
H -1.112963 -4.655255 -0.067904
H -1.288924 2.450322 -1.950223
H -0.041675 2.534418 -0.661699
H -3.663328 0.505341 0.212249
H -3.466233 1.209407 -1.433179
H -1.517602 3.914137 0.771486
H -1.371957 4.679370 -0.861509
H -4.875588 2.698515 -0.030471
H -3.614351 2.722851 1.267123
H 1.056515 0.269940 1.702274
H 6.425899 -0.166069 1.422198
H 6.254544 1.624851 1.431944
H 7.017091 0.801553 0.002370


