%chk=000075839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075839

0 1
 O    4.389300       2.453400       1.203600    
 O    2.669100       2.264800     -0.2702000    
 N   -4.080200      3.5799999E-02 -4.6100002E-02
 N    1.444900     -0.6693000      0.5200000    
 N    2.023000     -0.4161000     -0.5631000    
 C   -4.939400      -1.047500     -0.4595000    
 C   -4.684000       1.338400      0.2412000    
 C   -2.696500     -0.1411000      9.5500000E-02
 C   -5.298900      -1.934800      0.7277000    
 C   -4.552100       2.271000     -0.9583000    
 C   -2.113700      -1.386200     -0.1643000    
 C   -1.886200      0.9262000      0.4977000    
 C   -6.242300      -3.069300      0.3526000    
 C   -5.205300       3.626600     -0.7267000    
 C  -0.7371000      -1.562000     -2.3200000E-02
 C  -0.5096000      0.7503000      0.6387000    
 C   6.4800002E-02 -0.4938000      0.3782000    
 C    3.409900     -0.5923000     -0.4201000    
 C    4.224300      0.4640000     -2.0000000E-02
 C    3.960800      -1.843700     -0.6851000    
 C    5.598600      0.2677000      0.1161000    
 C    5.335000      -2.039900     -0.5490000    
 C    6.153900     -0.9843000     -0.1484000    
 C    3.671800       1.782100      0.2629000    
 H   -4.514500      -1.627200      -1.287400    
 H   -5.869900     -0.6378000     -0.8758000    
 H   -5.753600       1.198600      0.4503000    
 H   -4.292500       1.786500       1.161800    
 H   -5.775000      -1.327300       1.507900    
 H   -4.401100      -2.365600       1.183900    
 H   -3.501700       2.431600      -1.222800    
 H   -5.017300       1.804000      -1.835600    
 H   -2.682800      -2.255000     -0.4773000    
 H   -2.266100       1.918200      0.7155000    
 H   -6.480000      -3.672900       1.234100    
 H   -5.785600      -3.724000     -0.3963000    
 H   -7.179800      -2.679400     -5.6100000E-02
 H   -5.096700       4.257300      -1.614500    
 H   -4.739800       4.143600      0.1184000    
 H   -6.273600       3.515200     -0.5167000    
 H  -0.2980000      -2.535300     -0.2271000    
 H   0.1065000       1.588000      0.9548000    
 H    3.331200      -2.672200     -0.9988000    
 H    6.265600       1.072700      0.4133000    
 H    5.767600      -3.014400     -0.7558000    
 H    7.224400      -1.136700     -4.5499999E-02
 H    4.010400       3.339200       1.388500    


%chk=000075839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075839

0 1
O 3.866163 -2.183735 2.295212
O 2.760954 -0.160930 2.558673
N -4.099254 0.136616 -0.151317
N 1.545742 -0.468132 -0.075347
N 2.300350 0.473503 -0.597435
C -4.982260 -0.974588 0.261437
C -4.766621 1.389520 -0.564918
C -2.711459 0.010426 -0.142370
C -5.243252 -1.029617 1.788466
C -4.981595 1.507724 -2.095256
C -2.069322 -1.178180 0.346102
C -1.862797 1.071988 -0.621595
C -6.175472 -2.199135 2.169226
C -5.708654 2.815730 -2.472916
C -0.674777 -1.292813 0.344467
C -0.472288 0.951127 -0.612496
C 0.153344 -0.239340 -0.132724
C 3.694850 0.243137 -0.433227
C 4.283735 -0.492587 0.647403
C 4.532480 0.785059 -1.443883
C 5.679742 -0.735872 0.631491
C 5.920745 0.550393 -1.434043
C 6.497227 -0.227330 -0.400901
C 3.519523 -0.882696 1.870957
H -4.560314 -1.937049 -0.084701
H -5.948187 -0.855211 -0.266091
H -5.750380 1.430664 -0.059032
H -4.194456 2.261056 -0.194357
H -5.689590 -0.068601 2.111580
H -4.278129 -1.120676 2.321408
H -4.002744 1.453748 -2.607911
H -5.566704 0.634259 -2.444230
H -2.662775 -2.005729 0.742377
H -2.305405 1.993478 -1.010085
H -6.362070 -2.219799 3.257540
H -5.733380 -3.173085 1.885975
H -7.155008 -2.114607 1.661339
H -5.857873 2.885587 -3.564976
H -5.128681 3.703158 -2.156235
H -6.703833 2.875919 -1.992929
H -0.187090 -2.197609 0.722346
H 0.164518 1.763387 -0.976880
H 4.056443 1.361437 -2.243575
H 6.121084 -1.313779 1.449524
H 6.549979 0.963226 -2.230036
H 7.574893 -0.421412 -0.388965
H 3.390396 -2.361530 3.151906


