%chk=000211936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211936

0 1
O 4.924718 -1.585420 -1.561889
O -3.191564 2.174717 -1.255375
O -7.781877 -1.570752 1.002339
N 0.661346 0.976380 -0.060778
N 3.500224 0.390946 -0.033218
C 1.684076 2.070872 0.014359
C 1.221202 -0.180299 -0.834527
C 2.942316 1.547602 0.738048
C 2.482689 -0.710772 -0.128605
C -0.612909 1.474271 -0.672127
C 4.794584 -0.073392 0.387102
C -1.773397 0.614070 -0.143760
C 5.506170 -0.980518 -0.446913
C 5.451238 0.387698 1.542539
C -3.112170 1.167299 -0.576870
C 6.800114 -1.405918 -0.136960
C 6.750205 -0.031357 1.847757
C -4.335526 0.435183 -0.152529
C 7.424372 -0.930037 1.019483
C -4.305937 -0.683895 0.702198
C -5.572182 0.900943 -0.633385
C 4.769498 -0.699375 -2.703545
C -5.478591 -1.328921 1.067047
C -6.766954 0.271889 -0.284743
C -6.707045 -0.841559 0.565404
C -9.104553 -1.171264 0.562133
H 1.254176 2.911620 0.600741
H 1.964480 2.470625 -0.984598
H 1.462233 0.082009 -1.888038
H 0.455880 -0.985062 -0.863338
H 2.682649 1.276358 1.785533
H 3.704613 2.355854 0.771637
H 2.919725 -1.549556 -0.721983
H 2.217245 -1.113168 0.873110
H -0.787560 2.533926 -0.376181
H -0.609546 1.468077 -1.783410
H -1.714584 0.568931 0.966188
H -1.663243 -0.434403 -0.485418
H 4.951442 1.071812 2.224950
H 7.301341 -2.107360 -0.802345
H 7.234477 0.344829 2.747876
H 8.431124 -1.258391 1.267434
H -3.355537 -1.055368 1.090535
H -5.585946 1.776336 -1.293911
H 5.754056 -0.375500 -3.049525
H 4.282404 -1.350934 -3.435869
H 4.137390 0.156590 -2.442731
H -5.477070 -2.194056 1.726434
H -7.709780 0.646673 -0.667897
H -9.182752 -1.252207 -0.525796
H -9.739157 -1.917115 1.059458
H -9.333608 -0.162209 0.916659


%chk=000211936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211936

0 1
O 4.823138 -1.756647 -1.443736
O -3.204647 2.403171 -0.932796
O -7.882131 -1.742440 0.716296
N 0.702926 1.044785 0.041733
N 3.527603 0.365561 0.085976
C 1.753774 2.089448 -0.024249
C 1.200733 -0.198843 -0.597434
C 3.038338 1.626255 0.683591
C 2.478684 -0.693511 0.095962
C -0.585146 1.522651 -0.520242
C 4.865559 -0.033309 0.365328
C -1.759696 0.613258 -0.120639
C 5.497156 -1.080938 -0.386892
C 5.648385 0.600347 1.373821
C -3.123840 1.237893 -0.434063
C 6.805979 -1.504599 -0.088510
C 6.972060 0.193495 1.647704
C -4.358651 0.448411 -0.131633
C 7.554946 -0.875317 0.932191
C -4.325962 -0.847965 0.460005
C -5.622813 1.016300 -0.442397
C 4.594520 -0.918884 -2.641863
C -5.511694 -1.547886 0.728357
C -6.821430 0.328585 -0.181397
C -6.765396 -0.962896 0.408448
C -9.209564 -1.191969 0.416703
H 1.378171 3.002070 0.474406
H 2.003966 2.353777 -1.084230
H 1.410667 -0.035602 -1.686839
H 0.430875 -0.986992 -0.515879
H 2.824208 1.505686 1.771853
H 3.811551 2.406429 0.565372
H 2.869679 -1.585235 -0.418646
H 2.232281 -0.967470 1.147105
H -0.780688 2.535210 -0.124924
H -0.548451 1.624036 -1.633272
H -1.690992 0.408294 0.967199
H -1.698346 -0.372246 -0.623609
H 5.206711 1.401433 1.973924
H 7.225763 -2.320118 -0.687012
H 7.538350 0.702529 2.435895
H 8.575071 -1.206717 1.152247
H -3.369778 -1.314638 0.717805
H -5.636830 2.014187 -0.893862
H 5.563221 -0.606906 -3.077246
H 4.053675 -1.561572 -3.353995
H 3.991899 -0.026534 -2.389094
H -5.500895 -2.542706 1.183354
H -7.779001 0.793713 -0.433156
H -9.330382 -1.006839 -0.667679
H -9.918717 -1.965874 0.743546
H -9.390343 -0.256166 0.979175


