%chk=000198273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198273

0 1
O -0.036009 -0.280965 -0.268192
O -1.908793 -0.096750 -1.603425
O 1.859861 0.184726 -1.543649
O -3.017967 1.893970 1.831807
O -0.289845 2.069005 0.814971
O 0.836141 -2.607347 0.623689
O 3.277991 -1.542588 2.007917
O 3.860242 1.170762 1.338908
O -4.325090 -2.686566 -1.017593
O 3.534763 3.253062 -0.699692
N -4.276675 -0.723772 1.288667
C -3.441197 0.019577 0.314169
C -2.383942 0.839334 1.097056
C -1.445353 1.586329 0.124011
C -0.879851 0.645098 -0.962942
C 1.050464 -0.847447 -1.017356
C -2.738237 -0.895407 -0.719943
C 1.779271 -1.723056 0.038783
C 2.461792 -0.822414 1.091719
C 3.338434 0.240032 0.383329
C 2.467983 1.083021 -0.572076
C -3.723573 -1.573094 -1.686882
C 3.279824 2.059091 -1.437422
H -4.109632 0.745044 -0.226808
H -1.803141 0.216750 1.812901
H -1.975989 2.450740 -0.343065
H -0.352453 1.153462 -1.797885
H 0.686359 -1.385845 -1.914957
H -2.081883 -1.642825 -0.221062
H 2.501665 -2.413506 -0.455862
H 1.707849 -0.334646 1.761561
H 4.204492 -0.226849 -0.135068
H 1.654364 1.615253 -0.011658
H -3.217777 -1.888776 -2.617035
H -4.584217 -0.927105 -1.946350
H 2.691989 2.404699 -2.311077
H 4.234424 1.626038 -1.783871
H -3.746648 -1.466935 1.738043
H -5.058751 -1.176645 0.810539
H -3.808491 1.541614 2.312072
H -0.575558 2.684875 1.535596
H 0.149805 -2.091534 1.118373
H 3.767217 -2.270649 1.570354
H 4.106044 0.694608 2.170518
H -3.728949 -3.464428 -1.034820
H 3.958049 3.028160 0.169806


%chk=000198273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198273

0 1
O 0.008919 -0.280584 -0.307753
O -1.981497 -0.309819 -1.666487
O 1.980712 0.369847 -1.565196
O -3.011374 1.876244 1.802224
O -0.487593 2.357596 0.464702
O 1.058448 -2.674315 0.469873
O 3.528855 -1.669799 1.788808
O 4.123279 1.085625 1.414730
O -4.729448 -2.673946 -0.820733
O 3.840823 3.312356 -0.193618
N -4.320659 -0.580387 1.390421
C -3.495981 -0.011598 0.299368
C -2.398862 0.850668 0.961056
C -1.566329 1.561256 -0.107976
C -0.947790 0.527256 -1.064739
C 1.179849 -0.734204 -1.091643
C -2.857298 -1.023929 -0.689535
C 1.945354 -1.660429 -0.120526
C 2.624362 -0.834945 0.989320
C 3.480596 0.272878 0.371412
C 2.591313 1.203536 -0.477296
C -3.876749 -1.750634 -1.587603
C 3.392444 2.318869 -1.168160
H -4.148698 0.666975 -0.285798
H -1.730666 0.203429 1.573214
H -2.251933 2.203058 -0.702438
H -0.437509 1.011705 -1.914108
H 0.845263 -1.258606 -2.004289
H -2.243885 -1.763896 -0.126940
H 2.708198 -2.229972 -0.677675
H 1.845005 -0.377219 1.634851
H 4.258556 -0.190197 -0.273916
H 1.783192 1.644224 0.137063
H -3.335639 -2.269875 -2.402424
H -4.571506 -1.022096 -2.036930
H 2.743185 2.853367 -1.880507
H 4.247159 1.877473 -1.726370
H -3.797165 -1.254069 1.967132
H -5.183978 -1.017888 1.045096
H -3.802468 1.428015 2.219164
H -0.890068 2.954887 1.146995
H 0.224031 -2.192084 0.717922
H 3.020326 -2.463018 2.097740
H 4.543599 0.467568 2.066604
H -4.223008 -3.501570 -0.625553
H 4.215637 2.814346 0.586619


