%chk=000042263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042263

0 1
 O    8.537500       1.298600     -0.5320000    
 C  -0.4867000     -0.4286000     -0.1388000    
 C   0.7832000      0.3708000      0.1579000    
 C   -1.741900      0.4158000      9.2000000E-02
 C    2.039000     -0.4623000     -0.1045000    
 C   -3.011800     -0.3952000     -0.1731000    
 C    3.308700      0.3266000      0.2240000    
 C   -4.301700      0.3931000      7.4400000E-02
 C    4.564200     -0.4975000     -7.0100002E-02
 C   -5.607100     -0.3769000     -0.1533000    
 C    5.868100      0.2499000      0.2296000    
 C   -6.859100      0.4796000      4.9100000E-02
 C    7.121800     -0.6036000      3.0000001E-04
 C   -8.163700     -0.3104000     -0.1015000    
 C    8.440400      0.1310000      0.2784000    
 C   -9.448700      0.4737000      0.1757000    
 C    9.673600     -0.7255000      3.0700000E-02
 C   -10.71580     -0.3392000     -3.8699999E-02
 H  -0.4675000     -0.7792000      -1.177900    
 H  -0.5173000      -1.318000      0.5022000    
 H   0.7720000      0.7010000       1.203700    
 H   0.8052000       1.272600     -0.4659000    
 H   -1.723700       1.294100     -0.5643000    
 H   -1.753000      0.7836000       1.125100    
 H    2.059200     -0.7723000      -1.156400    
 H    2.008600      -1.375900      0.5016000    
 H   -3.005600     -0.7523000      -1.210300    
 H   -3.013900      -1.285600      0.4677000    
 H    3.332600       1.250300     -0.3667000    
 H    3.300000      0.6181000       1.281200    
 H   -4.292800      0.7681000       1.105800    
 H   -4.298500       1.277500     -0.5754000    
 H    4.561800     -0.8012000      -1.124300    
 H    4.535600      -1.418900      0.5248000    
 H   -5.611500     -0.7847000      -1.171400    
 H   -5.636600      -1.233500      0.5310000    
 H    5.856500      0.5916000       1.271900    
 H    5.912600       1.148000     -0.3981000    
 H   -6.854500       1.309100     -0.6682000    
 H   -6.829700      0.9263000       1.050500    
 H    7.116900     -0.9371000      -1.045400    
 H    7.068900      -1.502700      0.6261000    
 H   -8.132800      -1.175000      0.5738000    
 H   -8.209300     -0.7162000      -1.120100    
 H    8.442400      0.4613000       1.323800    
 H   -9.431300      0.8421000       1.208200    
 H   -9.480000       1.355300     -0.4754000    
 H    9.737900      -1.020300      -1.022300    
 H    9.658200      -1.629200      0.6473000    
 H    10.58640     -0.1643000      0.2578000    
 H   -10.78430     -0.6897000      -1.073400    
 H   -10.73560      -1.211900      0.6217000    
 H   -11.59950      0.2703000      0.1743000    
 H    9.356900       1.761200     -0.2870000    


%chk=000042263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042263

0 1
O 8.521338 1.278535 -0.803750
C -0.504727 -0.454132 -0.105807
C 0.799423 0.317849 0.196053
C -1.782968 0.368260 0.172630
C 2.078308 -0.504388 -0.079948
C -3.087343 -0.404298 -0.126723
C 3.381286 0.269552 0.221505
C -4.365734 0.417713 0.152577
C 4.661666 -0.551803 -0.049758
C -5.669835 -0.356961 -0.142778
C 5.959687 0.232321 0.244319
C -6.948753 0.463320 0.139386
C 7.236912 -0.596112 -0.011290
C -8.252548 -0.313765 -0.151154
C 8.532866 0.198857 0.214433
C -9.531908 0.507397 0.129148
C 9.800232 -0.664022 0.078584
C -10.829376 -0.280138 -0.154789
H -0.501258 -0.777266 -1.168097
H -0.528048 -1.383927 0.500716
H 0.795045 0.642352 1.257991
H 0.823521 1.246871 -0.411458
H -1.760300 1.297332 -0.434906
H -1.785394 0.692634 1.234590
H 2.082852 -0.829235 -1.141692
H 2.054971 -1.433200 0.528205
H -3.085234 -0.728637 -1.188650
H -3.109569 -1.333352 0.480923
H 3.406546 1.196303 -0.388988
H 3.374779 0.597542 1.282413
H -4.366450 0.744121 1.213889
H -4.345089 1.345576 -0.456869
H 4.666553 -0.882253 -1.109697
H 4.639356 -1.477535 0.564003
H -5.670125 -0.682090 -1.204459
H -5.688961 -1.285627 0.465545
H 5.948813 0.572732 1.301818
H 5.999790 1.144141 -0.381149
H -6.931517 1.390628 -0.471107
H -6.946968 0.790835 1.200396
H 7.240791 -0.965730 -1.056441
H 7.248010 -1.485951 0.650703
H -8.271988 -1.239851 0.461125
H -8.255336 -0.643405 -1.211479
H 8.504551 0.656570 1.230147
H -9.524938 0.842026 1.186792
H -9.515007 1.429260 -0.487720
H 9.849219 -1.114745 -0.929177
H 9.805691 -1.478497 0.826782
H 10.717632 -0.063047 0.232510
H -10.873515 -0.602491 -1.212415
H -10.886605 -1.188677 0.474209
H -11.728387 0.330036 0.050245
H 9.352345 1.810771 -0.715236


