%chk=000186691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186691

0 1
O -2.072810 -1.377369 0.272174
O -1.094834 3.236058 -0.487803
C -3.509633 -1.238405 -0.137686
C 2.433308 0.181318 1.119867
C 3.307191 -0.168442 -0.095374
C 1.016964 0.450937 0.688448
C -1.236230 -0.316814 0.260243
C -1.651720 0.977020 -0.134386
C 4.758381 -0.440183 0.318744
C -3.891677 0.154366 -0.544072
C 0.085282 -0.587026 0.669780
C -3.028959 1.180245 -0.541988
C -4.251538 -1.695851 1.115487
C -3.614465 -2.225177 -1.297629
C 0.645647 1.753612 0.300886
C -0.672405 1.989258 -0.099859
C 5.629748 -0.790788 -0.895718
C 7.077048 -1.062822 -0.492198
H 2.852456 1.060595 1.649863
H 2.464199 -0.646213 1.858356
H 3.268526 0.657466 -0.832635
H 2.885849 -1.053496 -0.612637
H 5.177316 0.443206 0.837767
H 4.794250 -1.265696 1.055645
H -4.930151 0.267802 -0.842521
H 0.351651 -1.598890 0.959535
H -3.310665 2.192784 -0.838558
H -5.314618 -1.863758 0.918440
H -3.825072 -2.629640 1.505000
H -4.170486 -0.949917 1.916682
H -3.153051 -3.186916 -1.037396
H -4.655517 -2.412265 -1.577594
H -3.088752 -1.849053 -2.184757
H 1.376319 2.551876 0.312780
H 5.596340 0.034082 -1.634275
H 5.213581 -1.676973 -1.414232
H 7.149856 -1.900667 0.210606
H 7.690638 -1.313408 -1.364896
H 7.533260 -0.190719 -0.010262
H -0.367025 3.905761 -0.442826


%chk=000186691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186691

0 1
O -2.132479 -1.239533 0.770761
O -1.302296 3.332181 -0.640536
C -3.434246 -1.279081 -0.009303
C 2.489855 0.506599 1.051430
C 3.270463 -0.198043 -0.093951
C 1.018318 0.710193 0.723327
C -1.253945 -0.176040 0.528785
C -1.738339 1.063774 0.017875
C 4.760895 -0.419225 0.245927
C -3.993983 0.127275 -0.179556
C 0.096977 -0.352856 0.890298
C -3.174052 1.215913 -0.215945
C -4.346368 -2.173271 0.844701
C -3.121403 -1.918352 -1.383537
C 0.561483 1.947309 0.200823
C -0.799187 2.114385 -0.138884
C 5.544137 -1.124442 -0.885218
C 7.031810 -1.348746 -0.537289
H 2.971196 1.482144 1.261034
H 2.588683 -0.103595 1.971053
H 3.182256 0.407419 -1.018585
H 2.789073 -1.172156 -0.313153
H 5.238943 0.558343 0.467356
H 4.840620 -1.020897 1.175827
H -5.078290 0.219404 -0.312186
H 0.416146 -1.317383 1.297621
H -3.562881 2.222869 -0.393494
H -5.318257 -2.319577 0.339507
H -3.876926 -3.160188 0.997430
H -4.524887 -1.713041 1.830969
H -2.693133 -2.927534 -1.246748
H -4.044001 -2.002075 -1.986770
H -2.401495 -1.296210 -1.943353
H 1.271484 2.774215 0.064707
H 5.466322 -0.521583 -1.812951
H 5.063396 -2.098878 -1.107313
H 7.136448 -1.975925 0.368233
H 7.569617 -1.852834 -1.361282
H 7.541832 -0.387034 -0.338871
H -0.585587 4.012376 -0.677739


