%chk=000245468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245468

0 1
O -5.103594 -1.083844 0.295105
O 5.790644 -0.104129 0.516007
C -2.649331 -0.585330 0.094996
C -1.952769 0.751497 -0.320125
C -0.493428 0.756127 0.145972
C -4.118229 -0.278734 -0.344484
C -1.961434 -1.730587 -0.665127
C -2.919200 1.842323 0.174187
C 0.237931 -0.399598 -0.610511
C -4.321359 1.230580 -0.043768
C -0.453642 -1.754950 -0.354097
C -2.608400 -0.855870 1.605520
C 0.215997 2.060860 -0.093689
C 1.713854 -0.390143 -0.268510
C 2.351395 0.870481 -0.100194
C 1.552369 2.102094 -0.193101
C 2.475489 -1.556348 -0.179157
C 3.720706 0.941609 0.160850
C 3.849717 -1.509076 0.087159
C 4.447870 -0.256350 0.252832
H -1.943035 0.808798 -1.440345
H -0.447082 0.554269 1.248640
H -4.294059 -0.521287 -1.414180
H -2.122094 -1.623029 -1.753962
H -2.418149 -2.700492 -0.391670
H -2.796364 2.783370 -0.383666
H -2.747794 2.084571 1.235970
H 0.168315 -0.183639 -1.711231
H -4.964088 1.366979 0.840701
H -4.848820 1.723269 -0.876091
H -0.298085 -2.057452 0.700298
H 0.027503 -2.537568 -0.972116
H -3.150176 -1.777037 1.850941
H -1.578418 -0.984634 1.962093
H -3.044888 -0.034120 2.181933
H -0.401335 2.953791 -0.147847
H -5.076715 -0.983588 1.266890
H 2.098498 3.032337 -0.339506
H 2.008541 -2.532138 -0.318852
H 4.232478 1.891355 0.296771
H 4.426388 -2.423765 0.159031
H 6.257994 -0.972101 0.569034


%chk=000245468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245468

0 1
O -5.186947 -1.162784 0.014572
O 5.949345 -0.076676 0.352710
C -2.683876 -0.588324 0.100743
C -1.964404 0.749398 -0.256131
C -0.485025 0.758890 0.176690
C -4.120869 -0.248628 -0.411555
C -1.970530 -1.741160 -0.641945
C -2.929164 1.854402 0.250937
C 0.248266 -0.421901 -0.540589
C -4.351659 1.239127 0.024002
C -0.454516 -1.784038 -0.304083
C -2.744431 -0.877687 1.623367
C 0.236872 2.064628 -0.116838
C 1.745681 -0.404544 -0.216062
C 2.401132 0.870778 -0.160491
C 1.591654 2.097969 -0.273114
C 2.527652 -1.567017 -0.058379
C 3.801599 0.945503 0.021384
C 3.927791 -1.497690 0.142143
C 4.560815 -0.234334 0.172075
H -1.965615 0.809459 -1.369457
H -0.434856 0.593762 1.278406
H -4.142517 -0.340968 -1.513140
H -2.091924 -1.592005 -1.735572
H -2.440222 -2.713534 -0.397832
H -2.800635 2.804459 -0.296790
H -2.752113 2.070666 1.321590
H 0.160842 -0.196637 -1.631202
H -4.953268 1.267398 0.953823
H -4.927815 1.787689 -0.740668
H -0.305994 -2.100321 0.747623
H 0.024210 -2.559736 -0.933113
H -3.295406 -1.820427 1.800118
H -1.742624 -1.001197 2.066701
H -3.250930 -0.071110 2.185967
H -0.348680 2.992540 -0.142081
H -5.355755 -1.021182 0.980754
H 2.115656 3.048795 -0.433209
H 2.054092 -2.552971 -0.092766
H 4.313154 1.912864 0.060883
H 4.512721 -2.418262 0.267760
H 6.391494 -0.956694 0.445473


