%chk=000126301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126301

0 1
 O  -0.4601000       2.104500     -0.7866000    
 O   -5.466100      0.7584000      0.4254000    
 N    2.741400      -1.425600     -0.6267000    
 N   -2.631500       2.637100     -0.4954000    
 N   -3.917300       2.313400     -0.1887000    
 N    4.545500       4.417800      0.7142000    
 C    3.211400     -0.1082000      -1.005400    
 C    3.413200      0.7744000      0.2245000    
 C    1.378100      -1.639500     -0.3315000    
 C  -0.9111000     -0.7213000     -0.1041000    
 C    3.685300      -2.523300     -0.5684000    
 C    3.908800       2.180600     -0.1368000    
 C   0.4747000     -0.5726000     -0.3902000    
 C   -1.327100      -2.035600      0.2497000    
 C   -1.909600      0.3158000     -0.1390000    
 C   0.9362000      -2.903700      1.6200000E-02
 C  -0.4089000      -3.098500      0.3048000    
 C   -3.245900      1.2700000E-02  0.1714000    
 C   -2.666400      -2.297600      0.5517000    
 C    4.056700       3.094400       1.081600    
 C    4.107800      -2.773200      0.8666000    
 C   -3.618300      -1.287800      0.5142000    
 C   -1.593000       1.733800     -0.4971000    
 C   -4.303900       1.044200      0.1497000    
 H    2.567000      0.3653000      -1.755900    
 H    4.180200     -0.1947000      -1.515600    
 H    4.146700      0.3097000      0.8940000    
 H    2.490800      0.8641000      0.8081000    
 H    3.302600      -3.433300      -1.044200    
 H    4.586700      -2.279500      -1.144900    
 H    4.873200       2.097600     -0.6539000    
 H    3.205300       2.635300     -0.8462000    
 H   0.8337000      0.4041000     -0.6696000    
 H    1.576500      -3.775600      8.0600001E-02
 H  -0.7389000      -4.100100      0.5764000    
 H   -2.989300      -3.301300      0.8229000    
 H    3.091400       3.201500       1.588300    
 H    4.751700       2.648200       1.801200    
 H    4.631100      -1.906500       1.281800    
 H    3.267200      -2.996500       1.529300    
 H    4.798300      -3.622200      0.9083000    
 H   -4.647200      -1.540100      0.7571000    
 H   -2.469400       3.610700     -0.7316000    
 H   -4.587200       3.074500     -0.2247000    
 H    3.909900       4.839900      3.7999999E-02
 H    5.441400       4.329300      0.2359000    


%chk=000126301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126301

0 1
O -0.135718 2.141638 -0.631371
O -5.431334 1.034416 0.349600
N 2.787387 -1.560391 -0.641549
N -2.330750 2.711523 -0.395592
N -3.690944 2.460996 -0.147442
N 4.006221 4.600605 0.639687
C 3.305271 -0.216644 -0.982449
C 3.523092 0.728674 0.230333
C 1.433098 -1.725274 -0.335667
C -0.852113 -0.768600 -0.101347
C 3.753809 -2.670232 -0.509419
C 3.653447 2.204748 -0.207599
C 0.537727 -0.624095 -0.367933
C -1.374278 -2.089099 0.212515
C -1.786246 0.350014 -0.120756
C 0.898590 -3.025255 0.005566
C -0.458062 -3.188597 0.258230
C -3.165546 0.109311 0.143419
C -2.764858 -2.274792 0.473351
C 3.924327 3.165237 0.982294
C 4.206779 -2.952267 0.944158
C -3.650183 -1.199765 0.435562
C -1.328446 1.738420 -0.398685
C -4.188453 1.193211 0.132159
H 2.607248 0.265511 -1.694523
H 4.261002 -0.349689 -1.522931
H 4.424921 0.412859 0.793234
H 2.665555 0.634191 0.923244
H 3.328404 -3.589178 -0.956760
H 4.636456 -2.412436 -1.122279
H 4.469742 2.313700 -0.953660
H 2.712365 2.514705 -0.706814
H 0.889466 0.380893 -0.593682
H 1.555509 -3.897330 0.063303
H -0.847045 -4.183849 0.504380
H -3.128946 -3.282952 0.704596
H 3.121438 3.041045 1.734723
H 4.869847 2.878319 1.483700
H 4.709518 -2.069899 1.377440
H 3.346349 -3.202004 1.589280
H 4.915394 -3.801178 0.968495
H -4.720898 -1.313594 0.626730
H -2.050430 3.678374 -0.572113
H -4.336400 3.252976 -0.179201
H 3.126069 4.982661 0.276840
H 4.793219 4.833694 0.024334


