%chk=000105738.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105738

1 1
 O   -1.993900       1.547000     -0.2959000    
 O    2.928200     -0.9399000     -0.2696000    
 N   -1.863000      -1.260200     -0.1557000    
 N    2.770300       1.843300     -0.4069000    
 N    3.673100       2.454300     -0.4563000    
 C  -0.6958000     -0.4688000     -0.2205000    
 C   -2.095300      -2.131700      0.9780000    
 C   -2.848900      -1.199600      -1.215600    
 C  -0.7830000      0.9217000     -0.2887000    
 C   0.5533000      -1.089800     -0.2143000    
 C    1.715000     -0.3202000     -0.2761000    
 C   0.3787000       1.691200     -0.3506000    
 C   -2.834000      -1.374000       2.062700    
 C   -2.507500      -2.211700      -2.290300    
 C    1.627700       1.070200     -0.3443000    
 C   -2.256000       2.463000      0.7652000    
 C    3.238700      -1.744400      0.8664000    
 C   -3.745300       2.491600       1.035200    
 C    4.737800      -1.742000       1.077400    
 H   -2.693300      -2.999300      0.6741000    
 H   -1.160000      -2.534200       1.383300    
 H   -3.846700      -1.421200     -0.8181000    
 H   -2.919800     -0.2089000      -1.675000    
 H   0.6244000      -2.174400     -0.1814000    
 H   0.3181000       2.775000     -0.4127000    
 H   -2.253300     -0.5155000       2.416300    
 H   -3.798400      -1.001500       1.702400    
 H   -3.024400      -2.028100       2.919400    
 H   -1.535100      -1.995900      -2.745700    
 H   -2.467700      -3.227800      -1.883800    
 H   -3.262500      -2.193900      -3.082600    
 H   -1.729700       2.165300       1.680600    
 H   -1.912800       3.459900      0.4681000    
 H    2.747100      -1.358300       1.768100    
 H    2.890400      -2.766900      0.6844000    
 H   -3.983500       3.193600       1.839100    
 H   -4.294400       2.786400      0.1348000    
 H   -4.107000       1.497400       1.315700    
 H    5.013100      -2.360200       1.936400    
 H    5.253000      -2.121800      0.1890000    
 H    5.101300     -0.7226000       1.244400    


%chk=000105738-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105738

1 1
O -2.145837 1.485976 -0.325938
O 3.008651 -0.481928 0.796940
N -1.791581 -1.308283 0.225542
N 2.625061 2.116726 0.357673
N 3.584403 2.788559 0.402730
C -0.739936 -0.428768 0.242861
C -1.559660 -2.783593 0.309537
C -3.251010 -0.960604 0.196010
C -0.875582 1.020148 -0.009486
C 0.591147 -0.922761 0.500469
C 1.715247 -0.097284 0.540173
C 0.237917 1.852040 0.033695
C -1.484467 -3.309349 1.760234
C -3.857361 -1.027245 -1.219419
C 1.540367 1.318429 0.310678
C -2.320467 2.929765 -0.662054
C 3.316696 -1.928383 1.044570
C -3.793201 3.139461 -0.990594
C 4.818511 -2.024775 1.273480
H -2.406655 -3.261657 -0.211310
H -0.656219 -3.050316 -0.265265
H -3.748181 -1.695645 0.855976
H -3.398754 0.035725 0.628140
H 0.730052 -1.981715 0.709773
H 0.144939 2.921934 -0.160634
H -0.650610 -2.859209 2.326024
H -2.417629 -3.097331 2.310735
H -1.344198 -4.404419 1.750220
H -3.407080 -0.261992 -1.871520
H -3.719046 -2.018773 -1.687072
H -4.943545 -0.836627 -1.158177
H -2.008492 3.535271 0.212212
H -1.669972 3.167161 -1.527565
H 2.741147 -2.254117 1.932637
H 2.994343 -2.504098 0.155489
H -3.961337 4.198244 -1.256369
H -4.103071 2.518806 -1.847907
H -4.434032 2.899328 -0.125666
H 5.093157 -3.077612 1.463761
H 5.378647 -1.677706 0.389692
H 5.126536 -1.426284 2.146629


