%chk=000088322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088322

0 1
 O   -5.161000       2.346700     -0.1990000    
 O    5.186200       2.301700     -0.2512000    
 N   -1.377500     -0.6528000      0.2318000    
 N    1.363300     -0.6341000      0.2620000    
 C  -0.7819000      -1.766100      0.9798000    
 C   0.7667000      -1.755400      0.9970000    
 C   -1.282800     -0.8085000      -1.227200    
 C    1.303200     -0.7913000      -1.198600    
 C   2.0300001E-02  -1.423800      -1.748000    
 C   -2.766700     -0.4247000      0.6282000    
 C    2.740200     -0.3873000      0.6890000    
 C   -3.293900      0.8592000     -4.6000001E-03
 C    3.287900      0.8650000      1.2000000E-02
 C   -4.733500       1.135300      0.4080000    
 C    4.729500       1.136100      0.4207000    
 H   -1.150300      -2.730200      0.6056000    
 H   -1.101300      -1.708200       2.029200    
 H    1.062800      -1.692100       2.052900    
 H    1.156400      -2.714500      0.6317000    
 H   -1.364000      0.1785000      -1.697100    
 H   -2.106900      -1.425400      -1.609400    
 H    2.143800      -1.396600      -1.563300    
 H    1.375400      0.1969000      -1.667500    
 H   2.5200000E-02  -2.501400      -1.538800    
 H   3.1800002E-02  -1.341000      -2.842500    
 H   -3.402600      -1.277500      0.3575000    
 H   -2.826600     -0.3114000       1.718200    
 H    2.769200     -0.2286000       1.774300    
 H    3.381200      -1.251200      0.4701000    
 H   -2.664900       1.714500      0.2744000    
 H   -3.282600      0.8176000      -1.099400    
 H    3.287100      0.7813000      -1.080200    
 H    2.668500       1.738800      0.2520000    
 H   -4.814600       1.244000       1.494200    
 H   -5.396100      0.3280000      7.9899997E-02
 H    5.387500      0.3013000      0.1587000    
 H    4.805200       1.312500       1.498000    
 H   -6.080000       2.497100      8.1000000E-02
 H    5.158500       2.121100      -1.206300    


%chk=000088322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088322

0 1
O -4.996404 2.564394 -0.169833
O 5.032713 2.667582 0.091890
N -1.406187 -0.803927 0.120988
N 1.397726 -0.801056 0.123134
C -0.790935 -1.861834 0.942270
C 0.787945 -1.880151 0.919614
C -1.318674 -1.023208 -1.340992
C 1.282742 -0.972564 -1.344409
C -0.005289 -1.694734 -1.784125
C -2.767098 -0.431446 0.561437
C 2.763167 -0.435202 0.549595
C -3.262662 0.888012 -0.070719
C 3.222584 0.932933 -0.004846
C -4.560856 1.372331 0.579797
C 4.559441 1.375388 0.616505
H -1.163327 -2.885650 0.674562
H -1.115591 -1.680852 1.983735
H 1.144409 -1.750885 1.958236
H 1.131577 -2.898263 0.599909
H -1.419183 -0.045561 -1.850349
H -2.168610 -1.664963 -1.702482
H 2.154150 -1.560630 -1.744138
H 1.323501 0.024559 -1.825091
H 0.016727 -2.744008 -1.432715
H -0.006012 -1.746728 -2.890492
H -3.516233 -1.241705 0.338247
H -2.741575 -0.311623 1.663182
H 2.770794 -0.382842 1.656197
H 3.519683 -1.215360 0.254656
H -2.480808 1.660442 0.045451
H -3.452134 0.762651 -1.152626
H 3.338126 0.879079 -1.107087
H 2.443473 1.686959 0.209985
H -4.383310 1.621822 1.649238
H -5.335462 0.574332 0.530972
H 5.332082 0.587600 0.470669
H 4.446813 1.550815 1.700223
H -5.814834 2.934989 0.247044
H 5.100230 2.602805 -0.894528


