%chk=000205602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205602

0 1
O 6.516178 0.020282 0.206512
O -0.095143 2.346088 -0.136497
N 3.712791 0.567166 0.332176
N -1.172897 0.341391 -0.338899
C 2.472858 1.366380 0.070594
C 4.359958 0.132577 -0.949825
C 4.691773 1.357224 1.150673
C 1.312708 0.389736 -0.191617
C -3.324298 -0.675998 1.667863
C -1.919900 -1.251662 1.889915
C -2.490914 0.935122 -0.209569
C -1.098394 -1.099306 -0.470375
C -3.462452 0.470570 0.699644
C -1.426355 -1.910055 0.636700
C -0.002348 1.135015 -0.214228
C 5.590618 -0.723849 -0.611773
C 5.915808 0.472915 1.437455
C -2.766738 2.031106 -1.055330
C -0.700271 -1.667076 -1.689077
C -4.714807 1.120312 0.709634
C -1.321060 -3.299750 0.510848
C -4.007498 2.658450 -1.013767
C -0.601617 -3.056977 -1.793792
C -4.989849 2.196107 -0.130057
C -0.903828 -3.869181 -0.696440
H 2.567981 2.081441 -0.775024
H 2.230232 1.985285 0.965144
H 4.662422 0.987214 -1.593100
H 3.627900 -0.471244 -1.525969
H 4.201536 1.640015 2.106807
H 5.014686 2.296658 0.652394
H 1.471492 -0.156911 -1.142958
H 1.309124 -0.399576 0.594345
H -3.722776 -0.353583 2.655946
H -3.996498 -1.496284 1.325901
H -1.945175 -1.967681 2.735832
H -1.222089 -0.446667 2.206899
H 5.310489 -1.651984 -0.083028
H 6.196918 -0.956033 -1.504315
H 6.738477 1.038346 1.908514
H 5.650260 -0.405975 2.051118
H -1.988820 2.400747 -1.726718
H -0.482882 -1.031401 -2.546206
H -5.487056 0.775244 1.397216
H -1.567248 -3.941647 1.355559
H -4.211248 3.506770 -1.664831
H -0.293034 -3.507227 -2.736220
H -5.964038 2.680037 -0.096489
H -0.820878 -4.951731 -0.783184


%chk=000205602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205602

0 1
O 6.609614 0.039975 0.147962
O -0.080672 2.399738 0.016164
N 3.757539 0.585178 0.400277
N -1.171022 0.352586 -0.297544
C 2.495218 1.336347 0.184569
C 4.333467 0.033878 -0.854152
C 4.774748 1.415494 1.099686
C 1.327317 0.400451 -0.179129
C -3.288773 -0.638785 1.746505
C -1.879635 -1.269359 1.901867
C -2.495322 0.950028 -0.207347
C -1.097926 -1.085164 -0.484442
C -3.475453 0.475973 0.710053
C -1.420265 -1.923018 0.615068
C -0.011752 1.147069 -0.153626
C 5.601044 -0.779280 -0.543582
C 6.031138 0.580531 1.390331
C -2.793419 2.021256 -1.087576
C -0.737476 -1.631230 -1.735352
C -4.755151 1.095191 0.678831
C -1.354804 -3.325129 0.438010
C -4.062098 2.629196 -1.083465
C -0.670662 -3.033273 -1.896483
C -5.056918 2.155642 -0.196292
C -0.975687 -3.880776 -0.805969
H 2.602791 2.127349 -0.597012
H 2.244408 1.862122 1.123105
H 4.588643 0.851321 -1.576894
H 3.595445 -0.631385 -1.339482
H 4.344855 1.777593 2.052883
H 5.065207 2.309786 0.491777
H 1.473636 -0.049927 -1.178913
H 1.308414 -0.447743 0.532327
H -3.597035 -0.234647 2.731098
H -4.005884 -1.451821 1.511417
H -1.919727 -2.015506 2.716353
H -1.162568 -0.484502 2.210348
H 5.332969 -1.654120 0.087836
H 6.088040 -1.125183 -1.470531
H 6.825301 1.198772 1.840815
H 5.772520 -0.255496 2.075838
H -2.011064 2.377749 -1.762613
H -0.527083 -0.959614 -2.575123
H -5.523829 0.734747 1.374532
H -1.600161 -3.983900 1.279642
H -4.273394 3.459051 -1.766140
H -0.392549 -3.460073 -2.866171
H -6.052810 2.611786 -0.184150
H -0.925076 -4.968480 -0.926908


