%chk=000124693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124693

0 1
 O   0.8283000      -2.538400      0.5847000    
 O  -0.8744000       2.343500     -0.6487000    
 O    5.488100     -0.2681000      0.7146000    
 O   -5.034600       2.171100     -0.1010000    
 N   -1.839300      -2.198000      0.4103000    
 N    1.792900       2.003800     -0.4725000    
 N    2.722200     -0.6602000      0.1995000    
 N   -2.768400      0.4658000     -0.2623000    
 C   -1.681900      -3.359000     -0.4607000    
 C   -2.878100      -2.474900     -0.5771000    
 C    2.831200       2.280600      0.5155000    
 C    1.634900       3.164300      0.3987000    
 C   -1.023100      -1.123800      0.1803000    
 C   0.9768000      0.9292000     -0.2431000    
 C    1.407100     -0.3045000      6.8099998E-02
 C   -1.453300      0.1100000     -0.1311000    
 C   0.4341000      -1.408300      0.2992000    
 C  -0.4803000       1.213400     -0.3628000    
 C    3.687400     -0.5136000     -0.8559000    
 C   -3.718600      0.3818000      0.8133000    
 C    5.040300      -1.031700     -0.3984000    
 C   -5.091300      0.8169000      0.3293000    
 H  -0.9374000      -3.300600      -1.242000    
 H   -1.783000      -4.297900      6.3100003E-02
 H   -2.938400      -1.858800      -1.462700    
 H   -3.806600      -2.810700     -0.1393000    
 H    2.890900       1.665400       1.401700    
 H    3.759300       2.624400      8.2999997E-02
 H    1.735600       4.103400     -0.1248000    
 H   0.8898000       3.105600       1.179700    
 H    2.863800      -1.475600      0.7921000    
 H   -2.903500       1.256200     -0.8876000    
 H    3.365400      -1.085700      -1.734000    
 H    3.801500      0.5270000      -1.167800    
 H   -3.793500     -0.6276000       1.226300    
 H   -3.394800       1.047800       1.622400    
 H    4.993000      -2.084300     -9.9900000E-02
 H    5.779600     -0.9342000      -1.198900    
 H   -5.448100      0.1971000     -0.5002000    
 H   -5.817700      0.7528000       1.145000    
 H    4.816100     -0.3471000       1.413000    
 H   -4.626500       2.186100     -0.9826000    


%chk=000124693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124693

0 1
O 0.739563 -2.681389 0.234757
O -0.742729 2.563567 -0.218089
O 5.210091 -0.163635 0.887802
O -5.333292 1.815192 -0.432241
N -2.100290 -2.056551 0.531037
N 2.099105 1.935220 -0.425756
N 2.615089 -0.980377 -0.335055
N -2.612299 0.881154 0.382104
C -2.016171 -3.462874 0.011674
C -3.027643 -2.505916 -0.590347
C 3.016308 2.335393 0.721718
C 2.031040 3.326846 0.127861
C -1.077787 -1.081901 0.250596
C 1.069596 0.964485 -0.198205
C 1.377569 -0.402719 -0.156086
C -1.392070 0.285233 0.196729
C 0.316806 -1.465326 0.130352
C -0.326664 1.349419 -0.097820
C 3.757924 -0.467958 -1.117052
C -3.857048 0.352421 0.962859
C 5.082495 -0.821522 -0.416984
C -5.036393 0.432516 -0.028627
H -1.145785 -3.746284 -0.583776
H -2.350731 -4.221268 0.726883
H -2.823289 -2.127764 -1.600405
H -4.086708 -2.584619 -0.321423
H 2.778821 1.934184 1.715740
H 4.082221 2.377349 0.480636
H 2.391066 4.098646 -0.560060
H 1.154753 3.610289 0.715858
H 2.554366 -2.006932 -0.197765
H -2.539875 1.907205 0.258677
H 3.746949 -0.921950 -2.131308
H 3.642259 0.619943 -1.238086
H -3.691325 -0.682461 1.298428
H -4.109647 0.969669 1.847441
H 5.178427 -1.924887 -0.307982
H 5.932211 -0.456423 -1.016830
H -4.839277 -0.206157 -0.913659
H -5.955336 0.081788 0.470520
H 4.379915 -0.351590 1.398869
H -4.646715 2.123184 -1.076585


