%chk=000183901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183901

0 1
O 4.646194 1.313872 -0.655434
O -0.222301 -2.594338 -0.049519
O 2.261184 -3.423368 0.169039
O -4.822083 1.789612 -0.455820
O -4.531714 -0.919203 0.427162
N 2.244895 3.002269 0.108207
C 1.073869 2.125131 0.430371
C 1.454436 0.656990 0.346562
C -0.048812 2.436910 -0.581982
C 2.785608 0.251584 0.442761
C 0.400755 -0.286994 0.188069
C 3.916325 1.252300 0.575628
C 3.422714 2.664839 0.955805
C -1.217414 1.527385 -0.335244
C -0.986881 0.192357 0.063499
C 0.753815 -1.641496 0.115898
C 3.128340 -1.113304 0.375100
C 2.116664 -2.044197 0.215161
C -2.521617 2.003089 -0.498260
C -2.085589 -0.641154 0.333507
C -3.615957 1.162957 -0.250890
C -3.388662 -0.171801 0.177402
C 3.553567 -3.922729 -0.256601
C -6.033586 1.016612 -0.261574
C -4.349343 -2.326956 0.713818
H 0.686752 2.308956 1.472429
H 0.326422 2.290196 -1.620246
H -0.342107 3.501928 -0.521177
H 4.692914 0.900824 1.295623
H 1.989599 3.987021 0.242259
H 3.223438 2.715494 2.046846
H 4.231462 3.398104 0.733999
H 4.172786 -1.412547 0.433454
H -2.713847 3.026107 -0.819280
H -1.907118 -1.666455 0.667836
H 4.062498 1.667991 -1.369777
H 0.192088 -3.496959 -0.186876
H 3.358555 -4.997205 -0.361331
H 4.296962 -3.732184 0.523224
H 3.844510 -3.475542 -1.211683
H -6.052999 0.169069 -0.954313
H -6.810243 1.752566 -0.495777
H -6.096852 0.674423 0.777327
H -5.386537 -2.672204 0.800953
H -3.811598 -2.453784 1.658115
H -3.835391 -2.823767 -0.114669


%chk=000183901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183901

0 1
O 4.478659 1.584982 -0.955247
O -0.202803 -2.696933 -0.103537
O 2.273836 -3.475464 -0.114478
O -4.943600 1.822831 -0.007282
O -4.581114 -0.955191 0.625462
N 2.267089 2.978281 0.250071
C 1.092603 2.109113 0.490835
C 1.465452 0.636871 0.305972
C -0.067895 2.472425 -0.451400
C 2.820023 0.234138 0.294142
C 0.394443 -0.311535 0.163787
C 3.945818 1.259297 0.387953
C 3.444744 2.556913 1.045424
C -1.248019 1.557778 -0.174227
C -1.009360 0.182005 0.127386
C 0.754276 -1.678140 0.042832
C 3.152857 -1.137555 0.155467
C 2.122585 -2.075717 0.034186
C -2.570858 2.037224 -0.231323
C -2.127343 -0.659128 0.379143
C -3.683103 1.202696 0.007448
C -3.447992 -0.167228 0.337215
C 3.634852 -4.002251 -0.216939
C -6.043605 1.157330 -0.735202
C -4.347531 -2.350499 1.006743
H 0.721404 2.224256 1.544007
H 0.286741 2.362210 -1.496538
H -0.359725 3.531014 -0.312228
H 4.812665 0.844273 0.930104
H 2.034477 3.973500 0.356196
H 3.206087 2.385788 2.122559
H 4.229690 3.328929 0.972871
H 4.205888 -1.434089 0.127187
H -2.774776 3.087093 -0.467515
H -1.942347 -1.708619 0.606847
H 3.760712 2.138291 -1.374361
H 0.298308 -3.549610 -0.230662
H 3.521812 -5.087007 -0.359042
H 4.204740 -3.802900 0.710512
H 4.163771 -3.560800 -1.082730
H -5.768029 1.009087 -1.797546
H -6.890253 1.857361 -0.663479
H -6.294545 0.188527 -0.275341
H -5.348597 -2.767830 1.192297
H -3.737188 -2.416031 1.927896
H -3.849146 -2.913286 0.194137


