%chk=000253116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253116

0 1
O 2.541508 0.720973 0.311806
O -4.551265 -2.120625 0.048623
O -2.086590 -1.483427 -1.249134
O -5.248781 -0.317186 -1.135988
N -2.596055 2.701683 0.693057
C -1.126667 1.025185 0.127864
C -1.221032 2.349533 0.670023
C -2.474701 0.593295 -0.159224
C 0.127648 0.412423 -0.022567
C 1.237056 1.145360 0.377023
C -3.335755 1.647404 0.194209
C -0.081038 3.074294 1.069919
C 1.147768 2.467087 0.922255
C -2.827797 -0.683532 -0.734708
C 2.794265 -0.605176 -0.256904
C 4.285777 -0.781176 -0.191736
C -4.356343 -0.982533 -0.665645
C 4.919451 -1.604820 -1.134478
C 5.038162 -0.153539 0.810262
C 6.301000 -1.801435 -1.065953
C 6.420850 -0.349019 0.868225
C 7.053210 -1.174434 -0.066612
C -5.923084 -2.604210 0.236864
C -6.604834 -1.802558 1.324979
H 0.177722 -0.588599 -0.445745
H -2.952940 3.584881 1.007984
H -4.415618 1.679255 0.089274
H -0.171722 4.077602 1.479144
H 2.072493 2.967000 1.206483
H 2.404546 -0.616666 -1.291568
H 2.268106 -1.356455 0.363052
H 4.341921 -2.091092 -1.918381
H 4.537903 0.493286 1.532881
H 6.793222 -2.443027 -1.795145
H 7.005014 0.142559 1.644483
H 8.129428 -1.328315 -0.018295
H -6.449891 -2.548003 -0.731855
H -5.728306 -3.654900 0.521543
H -7.565844 -2.248990 1.607764
H -5.985250 -1.744089 2.229531
H -6.803237 -0.772314 0.995990


%chk=000253116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253116

0 1
O 2.626231 0.996344 0.120655
O -4.630227 -2.076436 -0.369517
O -2.043158 -1.417941 -0.070419
O -5.314517 0.016040 0.383517
N -2.494944 3.171716 0.570078
C -1.094356 1.386606 0.284548
C -1.134687 2.803270 0.479841
C -2.479718 0.915497 0.260739
C 0.151465 0.724653 0.156566
C 1.323443 1.511047 0.230923
C -3.297881 2.056292 0.440033
C 0.035850 3.587787 0.551911
C 1.268138 2.924880 0.425489
C -2.880217 -0.471535 0.072934
C 2.761355 -0.458716 -0.059936
C 4.235845 -0.811409 -0.085547
C -4.400573 -0.785601 0.057231
C 4.663319 -1.960849 -0.795279
C 5.189885 -0.041214 0.623222
C 6.022983 -2.344920 -0.786266
C 6.550934 -0.420575 0.625209
C 6.972117 -1.574988 -0.074974
C -6.058483 -2.530153 -0.393995
C -6.477024 -3.054039 0.982417
H 0.161152 -0.355902 0.004575
H -2.835435 4.121041 0.714372
H -4.382398 2.104391 0.490165
H 0.001339 4.672199 0.700133
H 2.212783 3.474616 0.470694
H 2.265495 -0.769675 -1.001870
H 2.248591 -0.971419 0.782418
H 3.934099 -2.557304 -1.358147
H 4.859381 0.857050 1.153251
H 6.341104 -3.236091 -1.338881
H 7.282733 0.184485 1.172523
H 8.027925 -1.868369 -0.071313
H -6.691997 -1.684273 -0.715112
H -6.057871 -3.323110 -1.157932
H -7.496596 -3.478116 0.923165
H -5.791104 -3.847896 1.323714
H -6.484680 -2.241682 1.728166


