%chk=000190756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190756

0 1
O -5.863145 -0.512353 0.683375
O -3.636373 2.318973 0.982017
O -2.966608 -3.357372 -0.484664
O -6.198749 1.472655 1.567277
O 6.900694 -0.414938 -0.054578
O 5.846153 2.269637 0.362962
N -1.318825 -1.794102 -0.274646
N 1.395696 0.558570 0.067057
C -4.225386 1.326014 0.145132
C -3.184225 0.228613 0.011761
C -0.892844 -0.463181 -0.080828
C -3.619588 -1.060174 -0.161652
C -0.167686 -2.753492 -0.390379
C -1.794612 0.553136 0.058439
C 1.030750 -1.854977 -0.257357
C 0.589244 -0.475888 -0.074403
C -2.695524 -2.182319 -0.317676
C -4.587101 1.912987 -1.234963
C -5.076625 -1.388745 -0.174393
C -5.496815 0.796452 0.857242
C 2.365446 -2.127539 -0.283079
C 3.283339 -1.033174 -0.127611
C 2.766580 0.288498 0.041323
C -5.612337 3.034981 -1.152889
C 4.693313 -1.234643 -0.121263
C 3.659725 1.396939 0.174007
C 5.542047 -0.159553 0.025799
C 5.017062 1.177059 0.158306
C 7.658784 -0.026171 1.126758
C 6.708967 2.577069 -0.769362
H -0.212208 -3.285689 -1.367406
H -0.230303 -3.523788 0.411773
H -1.479306 1.587110 0.231074
H -4.952111 1.105327 -1.900362
H -3.652839 2.296706 -1.700312
H -5.518195 -1.311751 -1.186413
H -5.296991 -2.388712 0.261853
H 2.754063 -3.136846 -0.416030
H -6.538384 2.723097 -0.649690
H -5.221794 3.903667 -0.607328
H -5.892168 3.385010 -2.154690
H -4.335291 2.939956 1.319620
H 5.102847 -2.239605 -0.230355
H 3.251921 2.405753 0.286042
H 7.470495 1.021548 1.388698
H 8.691685 -0.182102 0.795995
H 7.398942 -0.696042 1.951175
H 6.095086 2.932014 -1.601986
H 7.304559 1.702506 -1.053905
H 7.335133 3.381181 -0.366466


%chk=000190756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190756

0 1
O -5.859585 -0.447724 0.743520
O -3.678378 2.540514 0.856310
O -2.996087 -3.346355 -0.553323
O -5.988806 1.549384 1.851292
O 6.977203 -0.421029 -0.008531
O 5.933016 2.276529 0.346035
N -1.318030 -1.731116 -0.289917
N 1.418659 0.583015 0.103374
C -4.227189 1.382916 0.162306
C -3.163365 0.296012 0.035596
C -0.870671 -0.424953 -0.069990
C -3.605386 -1.012386 -0.176151
C -0.208127 -2.710744 -0.444045
C -1.773189 0.615487 0.102098
C 1.013970 -1.830474 -0.294271
C 0.598414 -0.465969 -0.071023
C -2.678957 -2.126008 -0.352157
C -4.711381 1.826449 -1.263745
C -5.077667 -1.324254 -0.193497
C -5.423949 0.840085 0.988258
C 2.370275 -2.121712 -0.337903
C 3.301590 -1.042064 -0.157810
C 2.778293 0.301716 0.061241
C -5.799978 2.916013 -1.235945
C 4.715824 -1.238046 -0.164133
C 3.694182 1.387361 0.218881
C 5.591859 -0.167817 0.020600
C 5.070942 1.174275 0.177739
C 7.707650 -0.086730 1.241226
C 6.792579 2.583563 -0.825066
H -0.286452 -3.211441 -1.426682
H -0.296648 -3.497038 0.328293
H -1.433973 1.631843 0.300561
H -5.059234 0.945024 -1.835659
H -3.809607 2.208666 -1.778042
H -5.532621 -1.206182 -1.195532
H -5.264608 -2.351992 0.152927
H 2.742396 -3.139093 -0.503207
H -6.733238 2.562609 -0.761759
H -5.446715 3.802028 -0.681205
H -6.043634 3.233773 -2.265406
H -4.349775 2.813263 1.543374
H 5.139021 -2.239667 -0.296205
H 3.299471 2.397469 0.353905
H 7.554385 0.970934 1.518268
H 8.766847 -0.282306 1.017768
H 7.365898 -0.746365 2.060512
H 6.163334 2.896566 -1.678978
H 7.405885 1.709217 -1.107031
H 7.432053 3.419058 -0.503874


