%chk=000230214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230214

0 1
O 1.260926 3.067740 -1.275305
O -0.926565 3.367029 0.332901
O -0.915153 -0.822889 3.148283
O -0.785133 0.337715 -3.228094
O 0.047666 0.983425 2.457009
O 1.352390 -0.028391 -3.253872
O -0.198830 -4.912464 0.810536
O 0.106291 -4.898405 -1.336908
N 0.039243 1.378669 -0.289905
N -0.373480 -0.144563 2.295340
N 0.247302 -0.086789 -2.757869
N -0.045919 -4.356201 -0.258935
C -0.011691 -0.042839 -0.233527
C -0.208740 -0.780947 0.962925
C 0.140498 -0.785097 -1.438446
C 1.320083 2.041876 -0.666946
C -1.111905 2.203771 0.115553
C -0.239392 -2.184428 0.949540
C 0.150682 -2.177224 -1.456166
C -0.043256 -2.871795 -0.251390
C 2.531119 1.298898 -0.230983
C -2.404636 1.470640 0.202979
C 3.415066 0.794739 -1.195572
C -3.088052 1.461641 1.428485
C 2.816997 1.176411 1.136127
C -2.967904 0.874986 -0.932986
C 4.583618 0.149226 -0.784053
C -4.327612 0.825494 1.519744
C 3.991297 0.535791 1.537474
C -4.212926 0.248098 -0.834215
C 4.872462 0.022014 0.579202
C -4.889558 0.219451 0.389844
H -0.411697 -2.746432 1.888746
H 0.295388 -2.740525 -2.393417
H 3.189886 0.901824 -2.261639
H -2.654936 1.955227 2.302474
H 2.126299 1.586417 1.881247
H -2.444526 0.908896 -1.894987
H 5.274057 -0.247547 -1.528677
H -4.860194 0.808239 2.471259
H 4.223882 0.443990 2.598511
H -4.659221 -0.211601 -1.716390
H 5.790108 -0.475430 0.896097
H -5.861132 -0.271140 0.463409


%chk=000230214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230214

0 1
O 0.996255 3.061512 -1.105627
O -0.809731 3.107636 1.131814
O -1.661407 -0.857417 3.174214
O 0.074571 0.678911 -2.805440
O -0.007258 0.676032 2.828541
O 1.615505 -0.967038 -3.157927
O -0.582473 -5.127916 1.070431
O 0.263911 -5.154964 -1.053748
N 0.041837 1.213008 0.009744
N -0.732833 -0.325386 2.460433
N 0.728148 -0.372431 -2.440905
N -0.139379 -4.545756 0.008625
C 0.001172 -0.196024 0.009190
C -0.429100 -0.961307 1.147404
C 0.383793 -0.987058 -1.128479
C 1.184878 1.958808 -0.556822
C -1.059366 2.021090 0.575029
C -0.518856 -2.361031 1.147140
C 0.383238 -2.389838 -1.127910
C -0.090334 -3.063877 0.009320
C 2.525799 1.323839 -0.392246
C -2.434233 1.467172 0.399109
C 3.493599 1.527312 -1.410502
C -3.396232 1.727164 1.410243
C 2.873479 0.618532 0.791286
C -2.814540 0.785650 -0.788176
C 4.788682 0.992892 -1.264720
C -4.719913 1.271985 1.253342
C 4.178525 0.104687 0.939467
C -4.146908 0.351510 -0.947575
C 5.132386 0.278663 -0.091431
C -5.096691 0.581098 0.076129
H -0.884059 -2.895629 2.028255
H 0.713785 -2.946486 -2.009070
H 3.215762 2.096635 -2.303733
H -3.091603 2.278270 2.306138
H 2.148576 0.530293 1.608452
H -2.090362 0.656126 -1.600470
H 5.529133 1.133223 -2.058775
H -5.456984 1.455965 2.041604
H 4.456022 -0.418742 1.860465
H -4.447955 -0.153207 -1.871620
H 6.142254 -0.130121 0.023559
H -6.128290 0.233714 -0.047354


