%chk=000043643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043643

0 1
 O   -4.835400       1.361600      0.4580000    
 O    1.620200       1.445000     -0.1730000    
 N    3.987000      0.1872000      3.8000001E-03
 N   0.4270000     -0.4499000      0.5323000    
 C    7.741500     -0.5595000     -9.4099998E-02
 C    6.426800      0.2179000     -0.2144000    
 C    8.977800      0.2824000     -0.4176000    
 C    5.196300     -0.6188000      0.1346000    
 C    10.25290     -0.5597000     -0.3529000    
 C    2.806400     -0.5888000      0.3545000    
 C    11.48860      0.2775000     -0.6421000    
 C    1.568200      0.2773000      0.2002000    
 C  -0.9160000     -3.5999999E-03  0.5182000    
 C   -1.957500     -0.8576000      0.8810000    
 C   -1.191300       1.309400      0.1356000    
 C   -3.274700     -0.3989000      0.8609000    
 C   -3.550300      0.9137000      0.4778000    
 C   -2.508600       1.767900      0.1151000    
 C   -1.691500      -2.268100       1.296400    
 C   -5.794900      0.5395000     -0.1085000    
 C   -5.539600     -9.5399998E-02  -1.324000    
 C   -7.016500      0.3460000      0.5365000    
 C   -6.506000     -0.9242000      -1.894500    
 C   -7.982900     -0.4826000     -3.4100000E-02
 C   -7.727600      -1.118100      -1.249500    
 H    7.704700      -1.423800     -0.7689000    
 H    7.832700     -0.9570000      0.9244000    
 H    6.331400      0.5998000      -1.239100    
 H    6.473400       1.093700      0.4460000    
 H    9.046500       1.117000      0.2904000    
 H    8.875000      0.7158000      -1.419800    
 H    5.294300     -0.9951000       1.160100    
 H    5.147000      -1.482800     -0.5388000    
 H    10.19520      -1.379700      -1.078200    
 H    10.35060      -1.011700      0.6410000    
 H    4.054900       1.000700      0.6153000    
 H    2.702200      -1.454900     -0.3093000    
 H    2.859900     -0.9361000       1.393100    
 H    11.59360       1.087000      8.7200001E-02
 H    12.38800     -0.3442000     -0.5914000    
 H    11.43720      0.7200000      -1.642100    
 H   0.5701000      -1.414200      0.8201000    
 H  -0.4466000       2.034100     -0.1588000    
 H   -4.076600      -1.065600       1.168800    
 H   -2.718900       2.791300     -0.1841000    
 H   -1.208600      -2.823700      0.4855000    
 H   -1.055700      -2.293600       2.187600    
 H   -2.616200      -2.800800       1.544800    
 H   -4.605600      5.5000000E-02  -1.858800    
 H   -7.220400      0.8378000       1.483500    
 H   -6.309300      -1.414900      -2.843300    
 H   -8.934100     -0.6332000      0.4680000    
 H   -8.480400      -1.762400      -1.694100    


%chk=000043643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043643

0 1
O -4.855773 1.223145 0.514697
O 1.765334 1.275479 0.375428
N 4.059632 -0.253465 0.015055
N 0.475714 -0.686483 0.560556
C 7.922356 -0.419678 0.150178
C 6.510477 0.015949 -0.300961
C 9.054543 0.296242 -0.620272
C 5.387200 -0.698534 0.474232
C 10.468239 -0.143927 -0.176061
C 2.923943 -0.855342 0.713171
C 11.594671 0.577227 -0.947513
C 1.672588 0.019046 0.519286
C -0.862297 -0.191126 0.522506
C -1.925543 -1.145072 0.609431
C -1.152744 1.193895 0.409116
C -3.258542 -0.681611 0.577359
C -3.538418 0.698447 0.454120
C -2.489577 1.635197 0.374418
C -1.643305 -2.632901 0.746960
C -5.942208 0.546786 -0.094817
C -5.813475 -0.209059 -1.284233
C -7.204674 0.747207 0.506944
C -6.970294 -0.778606 -1.861989
C -8.351436 0.175064 -0.084870
C -8.240653 -0.594037 -1.267713
H 8.028062 -1.516926 0.016632
H 8.040639 -0.225255 1.236896
H 6.376713 -0.184367 -1.381719
H 6.405397 1.113610 -0.167196
H 8.954532 1.393621 -0.484950
H 8.937150 0.105790 -1.707497
H 5.534675 -0.534638 1.574712
H 5.470071 -1.792570 0.307947
H 10.567802 -1.240313 -0.313177
H 10.583237 0.044664 0.911087
H 3.956303 0.771564 -0.019484
H 2.741172 -1.887970 0.345475
H 3.087809 -0.939656 1.822003
H 11.535724 1.672581 -0.802529
H 12.594228 0.245241 -0.611158
H 11.520554 0.379476 -2.033643
H 0.568911 -1.701926 0.630745
H -0.327108 1.904074 0.342124
H -4.080462 -1.400164 0.661127
H -2.728000 2.699147 0.289272
H -1.077116 -3.032543 -0.118716
H -1.067525 -2.865584 1.665534
H -2.584009 -3.203760 0.804886
H -4.834098 -0.336846 -1.755610
H -7.266726 1.346741 1.420069
H -6.876003 -1.360374 -2.785811
H -9.331348 0.329222 0.380269
H -9.132141 -1.037981 -1.723017


