%chk=000269958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269958

0 1
O -1.243715 2.381584 0.252891
O -2.359214 -3.022487 -0.158854
O 1.099071 0.807289 2.192252
O 4.400755 -1.531505 0.858417
O 2.221391 -2.123540 0.920124
C -5.212446 1.033942 -0.728140
C -5.214827 -0.282048 -1.514682
C -3.793221 1.607805 -0.643065
C -4.341721 -1.333119 -0.819324
C -2.773901 0.581132 -0.242216
C -3.020012 -0.789300 -0.360291
C -1.508796 1.008941 0.230042
C -1.986996 -1.701667 -0.003253
C -0.504379 0.100865 0.567120
C -0.739063 -1.275113 0.447857
C 0.837013 0.566280 1.038717
C 1.842411 0.759168 -0.069631
C -1.317838 2.968871 1.581034
C -1.374087 -4.035689 0.162966
C 2.920454 -0.114467 -0.270780
C 1.682368 1.875072 -0.900615
C 3.855502 0.149961 -1.283526
C 2.610479 2.129765 -1.913608
C 3.699178 1.271162 -2.101736
C 3.072422 -1.342156 0.555218
C 4.720134 -2.690514 1.676411
H -5.610828 0.863081 0.290920
H -5.887954 1.767951 -1.204600
H -4.841480 -0.105383 -2.542362
H -6.246954 -0.662962 -1.623581
H -3.765428 2.466653 0.059364
H -3.491563 2.030021 -1.627319
H -4.174149 -2.199857 -1.495626
H -4.873407 -1.751682 0.063158
H 0.057781 -1.978790 0.707787
H -2.328912 2.860734 1.981222
H -1.074323 4.018298 1.385314
H -0.579352 2.504071 2.245324
H -1.924383 -4.958972 -0.055273
H -1.102222 -3.978283 1.221551
H -0.497216 -3.934747 -0.483961
H 0.819580 2.537462 -0.753416
H 4.705148 -0.522219 -1.421496
H 2.483864 3.000075 -2.558290
H 4.426159 1.475534 -2.887258
H 4.422739 -3.603852 1.153003
H 4.206839 -2.609479 2.640542
H 5.806999 -2.609786 1.784167


%chk=000269958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269958

0 1
O -1.581541 2.449796 0.874211
O -2.262013 -2.620270 -1.483103
O 1.205455 1.629481 1.203157
O 4.522631 -0.914329 1.732487
O 2.216735 -1.170187 1.944152
C -5.518727 0.823374 0.287376
C -5.632741 -0.045589 -0.982081
C -4.176859 1.585259 0.295244
C -4.521427 -1.115995 -1.005448
C -2.979493 0.688481 -0.002794
C -3.151220 -0.571986 -0.627895
C -1.672376 1.146437 0.342412
C -1.996668 -1.366184 -0.898544
C -0.519834 0.366416 0.024879
C -0.707215 -0.898872 -0.600739
C 0.878241 0.806013 0.297815
C 1.974970 0.305341 -0.634680
C -1.392074 2.546850 2.341225
C -1.114429 -3.479267 -1.782539
C 3.161261 -0.315441 -0.145592
C 1.896037 0.648632 -2.006167
C 4.251539 -0.547448 -1.020331
C 2.983739 0.410068 -2.876216
C 4.168087 -0.181238 -2.380622
C 3.209295 -0.822068 1.260212
C 4.660319 -1.430201 3.114813
H -5.589062 0.173319 1.182900
H -6.355109 1.545388 0.343405
H -5.545345 0.606718 -1.874264
H -6.622145 -0.537515 -1.036358
H -4.024198 2.098394 1.260928
H -4.206242 2.395909 -0.461358
H -4.455835 -1.599107 -1.997678
H -4.775490 -1.937548 -0.303378
H 0.176405 -1.503005 -0.820660
H -2.209453 2.019446 2.872372
H -1.430603 3.624585 2.563047
H -0.409041 2.133267 2.618503
H -1.544351 -4.394228 -2.216126
H -0.550431 -3.729458 -0.863119
H -0.433871 -3.002598 -2.514998
H 0.985708 1.126746 -2.383490
H 5.152503 -1.023446 -0.623270
H 2.908482 0.693069 -3.931872
H 5.016223 -0.362888 -3.049315
H 4.253728 -2.453430 3.185483
H 4.117231 -0.776781 3.817649
H 5.741106 -1.415810 3.312864


