%chk=000249505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249505

0 1
O 3.861690 0.737993 1.046569
O -5.677144 -1.182640 -0.120115
O -5.215875 0.859650 0.739203
O 5.644226 -0.499584 0.780978
O 4.114134 -0.400192 -0.944449
C -0.972160 -0.323948 0.594614
C 0.100347 0.770972 0.514329
C -2.375425 0.263538 0.405542
C 1.502939 0.184514 0.706048
C -3.448083 -0.828292 0.478028
C 2.566436 1.271211 0.604331
C -4.826636 -0.233233 0.403051
C -7.087414 -0.833805 -0.286553
C 4.496841 -0.090496 0.160635
C -7.260878 0.041468 -1.510315
C 6.532283 -1.358202 -0.019200
C 7.231627 -0.542429 -1.082471
H -0.777622 -1.097938 -0.173954
H -0.906457 -0.844085 1.570363
H 0.036917 1.286955 -0.464504
H -0.096284 1.545961 1.281494
H -2.442354 0.791366 -0.566915
H -2.578919 1.036552 1.176693
H 1.581663 -0.324575 1.688025
H 1.701210 -0.600940 -0.055048
H -3.362431 -1.403315 1.426262
H -3.308642 -1.578398 -0.330711
H 2.437006 2.086690 1.340879
H 2.674658 1.675391 -0.416703
H -7.439270 -0.344333 0.638899
H -7.537963 -1.836715 -0.399281
H -8.319964 0.197203 -1.746018
H -6.807700 1.032596 -1.355796
H -6.781547 -0.399911 -2.393326
H 7.209341 -1.715210 0.780551
H 5.935652 -2.188871 -0.435184
H 8.022256 -1.119630 -1.577112
H 6.527364 -0.213995 -1.863388
H 7.692281 0.361776 -0.661955


%chk=000249505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249505

0 1
O 3.967208 0.423430 1.231720
O -5.894721 -1.012359 0.108728
O -5.140280 1.195234 0.007743
O 5.788641 -0.726888 0.670075
O 4.254580 -0.174260 -1.025701
C -1.018480 -0.308429 0.645590
C 0.149583 0.703148 0.641752
C -2.386528 0.359223 0.386811
C 1.519264 0.032195 0.899203
C -3.539789 -0.661891 0.383793
C 2.656876 1.059940 0.891326
C -4.900774 -0.026555 0.145897
C -7.295385 -0.542791 -0.129314
C 4.631052 -0.160899 0.171113
C -7.580143 -0.419719 -1.628952
C 6.680305 -1.360775 -0.351997
C 7.560747 -0.312580 -1.036102
H -0.830356 -1.084252 -0.125612
H -1.041042 -0.837013 1.621584
H 0.171475 1.229637 -0.334790
H -0.037186 1.479026 1.413197
H -2.366460 0.893579 -0.582513
H -2.581772 1.130816 1.155904
H 1.505109 -0.486594 1.877242
H 1.711747 -0.729483 0.119779
H -3.584146 -1.210640 1.345536
H -3.383867 -1.437194 -0.391681
H 2.530068 1.816227 1.683371
H 2.744929 1.549906 -0.095409
H -7.434367 0.424341 0.385433
H -7.913734 -1.320690 0.346687
H -8.642326 -0.154896 -1.786734
H -6.958415 0.370573 -2.081946
H -7.381879 -1.373822 -2.147264
H 7.271378 -2.074981 0.242525
H 6.052341 -1.899558 -1.083408
H 8.279531 -0.814072 -1.710576
H 6.949755 0.380224 -1.638753
H 8.133160 0.265942 -0.290763


