%chk=000064849.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064849

0 1
 I   -1.549000       2.037800     -0.7137000    
 I   -1.361400      -3.410100       2.079600    
 I   -6.635000     -0.7967000       1.181600    
 O    3.799000       2.581100     -0.1440000    
 O    4.156300       1.798500       1.955000    
 O   0.3367000     -0.1824000       1.495300    
 O   -5.925300       2.388700      -1.915500    
 N   0.1924000      -1.280200     -0.5788000    
 N   -4.674000       1.450000     -0.1496000    
 C    5.384800      0.7980000      0.1057000    
 C    4.969500     -0.6545000      0.4043000    
 C    6.803500       1.066900      0.6410000    
 C    3.866500      -1.155700     -0.4975000    
 C    4.391800       1.753500      0.7540000    
 C    2.546000     -0.9832000     -0.1154000    
 C    7.257700       2.502200      0.4056000    
 C    4.196300      -1.777800      -1.690800    
 C    1.527600      -1.445400     -0.9490000    
 C    3.177900      -2.240200      -2.524300    
 C    1.843600      -2.073900      -2.153300    
 C   -1.794100     -0.6797000      0.7060000    
 C  -0.3129000     -0.6791000      0.5816000    
 C   -3.911400      0.3793000      0.3379000    
 C   -2.522000      0.3895000      0.2155000    
 C   -2.409500      -1.758900       1.315000    
 C   -4.549800     -0.6999000      0.9490000    
 C   -3.798800      -1.769000       1.437500    
 C   -5.041400       2.543200      0.7981000    
 C   -5.189200       1.496300      -1.487100    
 C   -4.775900      0.4016000      -2.443900    
 H    5.386000      0.9723000     -0.9782000    
 H    5.834200      -1.321000      0.2813000    
 H    4.667100     -0.7722000       1.453600    
 H    6.849200      0.8559000       1.716700    
 H    7.511900      0.3889000      0.1501000    
 H    2.369300     -0.4919000      0.8302000    
 H    7.200100       2.762400     -0.6561000    
 H    8.297400       2.622500      0.7270000    
 H    6.652700       3.217100      0.9713000    
 H    5.232200      -1.909400      -1.989800    
 H    3.423900      -2.728900      -3.462500    
 H    1.060200      -2.439000      -2.812700    
 H  -0.4916000      -1.647300      -1.237300    
 H    3.169100       3.197200      0.2872000    
 H   -4.297100      -2.610500       1.914600    
 H   -4.695700       3.491200      0.3754000    
 H   -4.585400       2.380200       1.778500    
 H   -6.131100       2.581600      0.8830000    
 H   -5.329700      0.5101000      -3.381700    
 H   -3.709600      0.4700000      -2.666100    
 H   -5.007300     -0.5828000      -2.031400    


%chk=000064849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064849

0 1
I -1.968217 1.611236 -2.051854
I -0.402856 -1.752975 2.910986
I -6.187178 -0.019197 2.149300
O 3.339768 1.693495 0.268151
O 3.867882 0.535400 2.214771
O 0.732798 0.906502 0.523478
O -6.518397 1.474691 -2.136818
N 0.351682 -1.021971 -0.779426
N -4.840263 1.378225 -0.525388
C 5.471866 0.559449 0.343210
C 5.306368 -0.938460 -0.121875
C 6.708389 0.708605 1.261069
C 4.104928 -1.175893 -1.026497
C 4.182606 0.945980 1.067875
C 2.793984 -1.136729 -0.489492
C 7.000646 2.174181 1.646142
C 4.254371 -1.384130 -2.420547
C 1.669028 -1.198199 -1.335595
C 3.123058 -1.527743 -3.257504
C 1.820807 -1.413766 -2.725992
C -1.482661 -0.070207 0.512628
C -0.022664 -0.011583 0.085198
C -3.850816 0.646139 0.203928
C -2.490607 0.603959 -0.223640
C -1.858403 -0.726079 1.713298
C -4.171851 -0.028523 1.416395
C -3.194246 -0.713832 2.166659
C -5.027941 2.804906 -0.173280
C -5.644621 0.794482 -1.528090
C -5.393821 -0.678977 -1.828093
H 5.570562 1.204227 -0.548982
H 6.237668 -1.229065 -0.642798
H 5.229564 -1.555473 0.794630
H 6.538940 0.109731 2.176871
H 7.586937 0.274450 0.742992
H 2.644052 -1.034675 0.589959
H 7.172318 2.798951 0.749570
H 7.899290 2.243327 2.285653
H 6.155283 2.611576 2.207737
H 5.260220 -1.428707 -2.854709
H 3.255683 -1.699218 -4.331127
H 0.942623 -1.460807 -3.380400
H -0.393492 -1.641071 -1.110065
H 2.369817 1.597820 0.542227
H -3.466973 -1.222981 3.092682
H -5.789216 3.209815 -0.858594
H -4.083613 3.363333 -0.298851
H -5.381558 2.907128 0.868532
H -6.080073 -0.980337 -2.632550
H -4.353595 -0.851554 -2.158437
H -5.582377 -1.309154 -0.940436


