%chk=000221944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221944

0 1
O 4.771480 -0.321600 0.250329
O 3.721123 1.649866 -0.085594
C -3.863452 -0.352608 -0.183485
C -5.007911 -1.331884 0.155104
C -4.245133 1.076520 0.253555
C -2.554947 -0.814390 0.490054
C -6.324686 -0.889448 -0.497855
C -5.559955 1.522642 -0.400227
C -6.698623 0.541727 -0.087117
C -1.326676 -0.081222 -0.064288
C -0.034408 -0.565611 0.607474
C 1.188628 0.173214 0.051764
C 2.481333 -0.314883 0.714691
C 3.662990 0.488414 0.246968
C 6.074430 0.262599 -0.139853
C 6.888213 -0.964119 -0.516459
C 6.619580 1.028679 1.053450
H -3.717343 -0.355761 -1.291101
H -5.137371 -1.394331 1.251807
H -4.747209 -2.351240 -0.182879
H -3.435271 1.781189 -0.011006
H -4.340651 1.120282 1.354634
H -2.430010 -1.904848 0.343465
H -2.621895 -0.667315 1.584573
H -6.235597 -0.950803 -1.599426
H -7.135747 -1.586360 -0.216685
H -5.828536 2.536369 -0.049811
H -5.425819 1.602727 -1.495941
H -6.929593 0.571307 0.994874
H -7.621996 0.855421 -0.607573
H -1.262194 -0.230644 -1.159603
H -1.441323 1.010910 0.083328
H -0.102509 -0.416064 1.702549
H 0.081044 -1.656630 0.458048
H 1.253401 0.034264 -1.045785
H 1.081667 1.267797 0.206143
H 2.647261 -1.395714 0.515424
H 2.412944 -0.227900 1.821127
H 5.885636 0.932001 -1.008860
H 6.968553 -1.666012 0.324473
H 6.417745 -1.514356 -1.341628
H 7.903180 -0.690006 -0.824060
H 6.632106 0.411276 1.959873
H 5.999824 1.911651 1.268020
H 7.642017 1.378993 0.874807


%chk=000221944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221944

0 1
O 4.905866 -0.424404 0.291837
O 3.777267 1.498123 -0.405647
C -3.957594 -0.339653 -0.197339
C -5.097138 -1.307128 0.219980
C -4.327533 1.115890 0.193190
C -2.605489 -0.795581 0.408620
C -6.469260 -0.885844 -0.356576
C -5.699777 1.544426 -0.381339
C -6.821628 0.566869 0.041790
C -1.363931 -0.032784 -0.107673
C -0.038634 -0.602853 0.446425
C 1.206506 0.154025 -0.064615
C 2.516535 -0.438657 0.491177
C 3.754345 0.337817 0.069084
C 6.232444 0.223398 -0.026300
C 7.187848 -0.937477 -0.312238
C 6.652703 1.102156 1.160344
H -3.869050 -0.380312 -1.306918
H -5.158464 -1.327950 1.329469
H -4.848037 -2.337965 -0.103552
H -3.544073 1.817475 -0.152526
H -4.355963 1.187895 1.302004
H -2.469366 -1.877027 0.192933
H -2.657758 -0.705399 1.515068
H -6.438669 -0.961613 -1.463694
H -7.258699 -1.581402 -0.010014
H -5.943576 2.573988 -0.053350
H -5.639000 1.568155 -1.489671
H -6.954958 0.619821 1.142604
H -7.785520 0.867638 -0.413466
H -1.344917 -0.073147 -1.217093
H -1.434521 1.039204 0.164759
H -0.063384 -0.567058 1.556265
H 0.039385 -1.676272 0.172360
H 1.231186 0.127887 -1.171698
H 1.142869 1.222762 0.214618
H 2.644748 -1.494867 0.189593
H 2.491167 -0.444160 1.600544
H 6.077277 0.850953 -0.923906
H 7.288378 -1.586530 0.575509
H 6.820898 -1.551246 -1.152574
H 8.187978 -0.547001 -0.574434
H 6.742037 0.495653 2.079164
H 5.918157 1.907272 1.329406
H 7.633649 1.569023 0.955177


