%chk=000296522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296522

0 1
O -5.199407 -1.706553 0.115675
O 5.231896 1.713530 -0.030495
O -5.924588 1.122357 0.025519
O 5.883134 -1.136969 -0.090593
N -0.157443 -1.780158 0.003905
C 0.495305 0.590191 -0.007012
C -0.489168 -0.417397 0.007734
C 1.890034 0.202428 -0.024804
C -1.897507 -0.070561 0.026718
C -2.261969 1.299275 0.031227
C 2.206018 -1.179028 -0.019574
C 0.084803 1.967505 -0.003564
C -1.234218 2.308501 0.014054
C -2.913582 -1.067661 0.026289
C 2.948932 1.151907 -0.063095
C -3.636224 1.665327 0.066830
C 1.113272 -2.129325 -0.008111
C 3.559619 -1.609195 -0.011464
C -4.241468 -0.698034 0.047219
C 4.262748 0.726518 -0.075038
C -4.611058 0.687182 0.080050
C 4.572988 -0.674288 -0.031697
C -5.962596 -1.853729 -1.114491
C 6.221004 1.652473 -1.096459
C -6.787385 0.607669 1.077685
C 6.646876 -0.862415 1.118058
H 0.860132 2.736337 -0.014665
H -1.543300 3.353910 0.016281
H -2.636074 -2.127222 0.009264
H 2.728669 2.220539 -0.085005
H -3.923570 2.715824 0.083243
H 1.340731 -3.204550 -0.009985
H 3.799583 -2.672724 0.011838
H -6.460641 -0.911898 -1.368754
H -6.682618 -2.634542 -0.848014
H -5.298895 -2.184054 -1.918258
H 6.665488 0.652870 -1.169659
H 6.953518 2.399402 -0.771658
H 5.743212 1.944204 -2.036018
H -6.504896 1.075864 2.024619
H -6.726113 -0.485523 1.141567
H -7.776787 0.939612 0.746050
H 6.227267 -1.433238 1.950798
H 6.652368 0.211935 1.332603
H 7.643906 -1.226994 0.848189


%chk=000296522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296522

0 1
O -5.234186 -1.769662 -0.037380
O 5.345269 1.671825 -0.050134
O -6.016248 1.037446 0.034225
O 5.953239 -1.182450 0.033862
N -0.166206 -1.787171 0.004743
C 0.505726 0.606836 0.010845
C -0.488571 -0.425757 0.008770
C 1.908766 0.215047 0.004346
C -1.901288 -0.079891 0.009859
C -2.289017 1.308730 0.015112
C 2.217232 -1.193703 0.004212
C 0.079796 1.983125 0.019143
C -1.265080 2.321354 0.020428
C -2.913295 -1.084397 -0.014102
C 2.994601 1.140363 -0.024139
C -3.677194 1.644441 0.034323
C 1.121992 -2.132796 0.004215
C 3.574741 -1.631168 0.022406
C -4.266259 -0.737741 -0.021720
C 4.322059 0.699919 -0.035225
C -4.657117 0.649223 0.034914
C 4.622268 -0.708993 0.024808
C -6.073551 -1.802568 -1.258861
C 6.236182 1.625384 -1.236540
C -6.790616 0.589551 1.217136
C 6.733269 -0.807412 1.239177
H 0.828692 2.780996 0.027900
H -1.567108 3.375093 0.027866
H -2.617169 -2.135807 -0.041416
H 2.828788 2.220408 -0.057569
H -3.995544 2.691931 0.063554
H 1.343293 -3.208577 0.003659
H 3.812455 -2.700163 0.050559
H -6.602893 -0.842851 -1.400653
H -6.791836 -2.620922 -1.098433
H -5.445053 -2.020765 -2.142941
H 6.704082 0.630664 -1.341539
H 6.999143 2.397577 -1.056972
H 5.658665 1.869419 -2.147849
H -6.398159 1.076269 2.130108
H -6.744730 -0.508511 1.326428
H -7.824058 0.919144 1.030900
H 6.288780 -1.277419 2.136555
H 6.763851 0.289796 1.364556
H 7.744284 -1.206513 1.067866


