%chk=000297906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297906

0 1
O 3.336678 2.107514 -0.013938
O 2.208058 -2.397278 -1.603543
O 0.718475 2.565927 2.045578
O -0.613390 -3.149307 -0.500521
O 3.278810 0.113842 1.057833
O 0.996397 -0.590688 -2.214947
N -5.197603 0.919713 -0.083993
C 0.420330 -0.096798 0.695828
C 1.217991 1.132393 0.188712
C 0.954050 -1.430487 0.109873
C -1.057335 0.120604 0.462932
C 0.643045 2.402531 0.851962
C -0.041043 -2.569103 0.388519
C 2.691982 1.007867 0.493999
C 1.323727 -1.379726 -1.356508
C -1.889097 0.377074 1.565080
C -1.627774 0.102222 -0.818233
C -3.253683 0.591220 1.402423
C -2.989899 0.316184 -0.998821
C -3.832816 0.565753 0.110631
C -0.011323 3.364293 -0.081867
C -0.233815 -2.902598 1.835645
C 4.789455 2.198055 0.157359
C 2.700610 -2.571310 -2.972290
C -6.101047 0.773742 1.090486
C -5.840884 0.428845 -1.334319
C 5.481159 1.274258 -0.822213
C 3.779519 -1.548871 -3.261133
H 0.604549 -0.161262 1.807575
H 1.099945 1.204616 -0.932640
H 1.917327 -1.665720 0.665515
H -1.462535 0.422106 2.569468
H -0.996850 -0.088737 -1.694797
H -3.865610 0.793886 2.278122
H -3.398207 0.291779 -2.007317
H -0.378852 4.255401 0.449720
H 0.673936 3.707651 -0.869957
H -0.880883 2.904124 -0.582064
H -0.952386 -2.207382 2.299506
H 0.691096 -2.859472 2.423227
H -0.656825 -3.912793 1.952586
H 5.030950 1.965229 1.209805
H 4.952620 3.270011 -0.058303
H 1.843366 -2.498861 -3.664952
H 3.080077 -3.608566 -2.920894
H -5.710897 1.371221 1.933583
H -6.226496 -0.267523 1.426440
H -7.094192 1.183292 0.842867
H -5.261577 0.773775 -2.209434
H -5.928131 -0.668063 -1.385345
H -6.848550 0.865958 -1.425520
H 6.565414 1.437732 -0.829447
H 5.308114 0.218713 -0.561574
H 5.113037 1.421802 -1.845677
H 4.281243 -1.754982 -4.213851
H 3.358102 -0.534172 -3.320967
H 4.544539 -1.538535 -2.473904


%chk=000297906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297906

0 1
O 3.301855 2.115408 -0.174175
O 2.393267 -2.391265 -1.576746
O 0.553899 2.461718 2.186004
O -0.322061 -3.411834 -0.528071
O 3.216381 0.296430 1.285697
O 0.968265 -0.694364 -2.281187
N -5.360006 0.625412 -0.026257
C 0.374056 -0.122384 0.680250
C 1.144559 1.149182 0.200929
C 1.008958 -1.444509 0.107416
C -1.134382 0.046517 0.456411
C 0.576505 2.410314 0.931287
C 0.109407 -2.676661 0.394264
C 2.640555 1.092734 0.509223
C 1.411144 -1.430310 -1.366236
C -1.975699 0.330387 1.563680
C -1.747744 -0.028516 -0.822382
C -3.361879 0.525415 1.419646
C -3.132461 0.161151 -0.985591
C -3.981786 0.440958 0.132477
C 0.066317 3.522613 0.041580
C -0.209732 -2.943517 1.857120
C 4.779321 2.227030 0.052384
C 2.838809 -2.604361 -2.988845
C -6.202041 0.902945 1.142457
C -5.966906 0.517215 -1.357849
C 5.541894 1.305247 -0.902673
C 4.006691 -1.675488 -3.332176
H 0.541296 -0.169595 1.773594
H 1.018891 1.289137 -0.885393
H 1.946477 -1.607439 0.675285
H -1.532052 0.423190 2.563403
H -1.133750 -0.243064 -1.702830
H -3.957651 0.745268 2.310024
H -3.554255 0.080140 -1.991520
H -0.264363 4.383796 0.642320
H 0.857668 3.829993 -0.667148
H -0.780274 3.140010 -0.561285
H -1.005043 -2.247961 2.186351
H 0.670060 -2.777642 2.504092
H -0.579480 -3.974521 1.971567
H 4.989614 1.979740 1.107504
H 4.988858 3.291299 -0.139626
H 1.976307 -2.433736 -3.656000
H 3.131438 -3.666042 -3.008711
H -5.903910 1.841867 1.653044
H -6.158312 0.082765 1.888839
H -7.250297 1.011741 0.822103
H -5.554069 1.268183 -2.062626
H -5.811162 -0.486931 -1.803417
H -7.052448 0.688413 -1.281276
H 6.629851 1.455774 -0.773620
H 5.313160 0.247168 -0.691491
H 5.284804 1.525352 -1.953312
H 4.377313 -1.904973 -4.348581
H 3.686297 -0.620182 -3.311694
H 4.840750 -1.812118 -2.621926


