%chk=000045093.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045093

0 1
 O   -2.851500      -2.233200      2.5599999E-02
 O   -1.992200      -1.937100      -2.098200    
 O    3.397300       3.966500     -5.9200000E-02
 O    3.917100       1.064100      0.4114000    
 N   0.7687000       1.351200     -2.1900000E-02
 C   -1.745100     -0.2066000     -0.4223000    
 C  -0.7057000     -0.5107000      0.6900000    
 C  -0.9752000      0.5211000      -1.556700    
 C   0.1017000      0.7204000       1.122500    
 C  -0.2005000       1.741700      -1.051400    
 C   -3.000300      0.5600000      1.9600000E-02
 C    1.552300       2.507100      0.4123000    
 C   -2.196700      -1.549700     -0.9558000    
 C    2.663200       2.855300     -0.5812000    
 C   -4.001800      0.8513000     -0.9068000    
 C   -3.139500      0.9645000       1.347400    
 C    3.635100       1.704000     -0.8295000    
 C   -5.142000       1.547400     -0.5055000    
 C   -4.279900       1.660500       1.748400    
 C   -5.281100       1.951900      0.8220000    
 C   -3.336000      -3.527800     -0.3451000    
 C   -4.033600      -4.152400      0.8444000    
 C    4.193400     -0.2761000      0.3638000    
 C    4.795700     -0.8244000     -0.7688000    
 C    3.872100      -1.093400       1.447600    
 C    5.076400      -2.189900     -0.8174000    
 C    4.152900      -2.458800       1.398800    
 C    4.755200      -3.007000      0.2662000    
 H   -1.168700     -0.9744000       1.570200    
 H   6.3000000E-03  -1.264100      0.3192000    
 H  -0.2513000     -0.1633000      -2.023200    
 H   -1.646500      0.8346000      -2.365400    
 H   0.8588000      0.3771000       1.838900    
 H  -0.5123000       1.455500       1.650500    
 H  -0.8988000       2.500100     -0.6746000    
 H   0.3132000       2.179100      -1.914700    
 H   0.9150000       3.386200      0.5834000    
 H    2.013300       2.317700       1.391900    
 H    2.253700       3.195900      -1.537300    
 H   -3.919100      0.5395000      -1.944200    
 H   -2.422100      0.7305000       2.123000    
 H    3.154200       1.014300      -1.535100    
 H    4.571900       2.077400      -1.258700    
 H   -5.922900       1.772200      -1.226200    
 H   -4.394000       1.966700       2.784300    
 H   -6.170300       2.491200       1.135100    
 H    3.824800       3.678500      0.7656000    
 H   -2.494400      -4.157800     -0.6538000    
 H   -4.041200      -3.428500      -1.177800    
 H   -3.345400      -4.241000       1.691400    
 H   -4.866300      -3.523400       1.176100    
 H   -4.417800      -5.145500      0.5956000    
 H    5.088300     -0.2195000      -1.621700    
 H    3.402000     -0.6718000       2.331800    
 H    5.551300      -2.616200      -1.696300    
 H    3.902600      -3.095200       2.242600    
 H    4.975200      -4.070000      0.2290000    


%chk=000045093-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045093

0 1
O -3.318643 -2.261056 -0.416939
O -3.340715 -1.267657 -2.518072
O 3.498833 3.392830 -0.386516
O 4.132261 0.821544 0.427160
N 0.436528 1.170202 -0.187196
C -2.240011 -0.088679 -0.618059
C -1.168568 -0.658657 0.358494
C -1.479125 0.719923 -1.713660
C -0.232402 0.433699 0.916183
C -0.565688 1.790466 -1.092822
C -3.347947 0.758748 0.073367
C 1.462106 2.133100 0.281201
C -3.001646 -1.241003 -1.311405
C 2.620866 2.267967 -0.739048
C -4.253197 1.507400 -0.726210
C -3.540957 0.764520 1.478236
C 3.427873 0.970431 -0.865950
C -5.299096 2.253671 -0.142186
C -4.585488 1.512351 2.066983
C -5.468251 2.265299 1.261187
C -4.145577 -3.382469 -0.963105
C -4.368918 -4.362372 0.183665
C 4.971225 -0.291039 0.607752
C 5.164733 -1.304062 -0.363522
C 5.636888 -0.357627 1.857114
C 6.031207 -2.383299 -0.070513
C 6.496392 -1.439436 2.132492
C 6.699727 -2.460058 1.170861
H -1.638190 -1.221339 1.182490
H -0.547581 -1.380860 -0.204280
H -0.859333 0.015433 -2.298306
H -2.182194 1.187290 -2.422301
H 0.548234 -0.045556 1.535746
H -0.802539 1.130222 1.579468
H -1.184499 2.548997 -0.549411
H -0.034313 2.325456 -1.901083
H 1.045479 3.150712 0.462259
H 1.883173 1.772239 1.238148
H 2.214369 2.527434 -1.732827
H -4.157084 1.492471 -1.817291
H -2.884211 0.178212 2.127356
H 2.740762 0.119346 -1.034594
H 4.172462 1.045771 -1.681885
H -5.984051 2.820390 -0.783014
H -4.709630 1.503594 3.155911
H -6.277864 2.845503 1.717714
H 4.087556 3.078666 0.349353
H -3.600044 -3.834973 -1.810955
H -5.089197 -2.956025 -1.349104
H -3.408918 -4.756589 0.558845
H -4.897044 -3.874650 1.020659
H -4.981434 -5.213519 -0.165899
H 4.655567 -1.264537 -1.330756
H 5.468632 0.438772 2.589096
H 6.180916 -3.166304 -0.822569
H 7.009329 -1.486003 3.099630
H 7.368737 -3.299189 1.387908


