%chk=000097531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097531

0 1
 O   7.8699999E-02  0.3669000     -0.6441000    
 O    2.157900       2.386500     -0.4840000    
 O    1.454000      -2.181900     -0.4459000    
 O   -6.368600      -1.078100     -0.2021000    
 O   -4.679100      -2.447900      9.4700001E-02
 N    1.428800      0.1606000     -0.4436000    
 N   -5.146200      -1.288000     -1.1700000E-02
 C    3.593200      0.5353000     -5.6699999E-02
 C    3.381100     -0.8417000     -4.5200001E-02
 C    2.313300       1.189000     -0.3478000    
 C    1.963000      -1.084500     -0.3288000    
 C  -0.5791000      0.4788000      0.6220000    
 C   -2.045100      0.7028000      0.3942000    
 C    4.838400       1.083700      0.1681000    
 C    4.404100      -1.735500      0.1915000    
 C    5.889000      0.1945000      0.4135000    
 C    5.674200      -1.199900      0.4251000    
 C   -2.901900     -0.3880000      0.2984000    
 C   -2.533400       1.999600      0.2798000    
 C   -4.264500     -0.1794000      8.5600004E-02
 C   -3.896000       2.208300      6.7000002E-02
 C   -4.761600       1.118800     -2.9999999E-02
 H  -0.1550000       1.314400       1.193600    
 H  -0.4236000     -0.4353000       1.209500    
 H    5.005000       2.154200      0.1567000    
 H    4.240900      -2.806700      0.1978000    
 H   -2.489600      -1.390100      0.3894000    
 H    6.888300      0.5810000      0.5970000    
 H    6.511300      -1.866100      0.6173000    
 H   -1.867600       2.855200      0.3514000    
 H   -4.282500       3.219300     -2.3700001E-02
 H   -5.817000       1.319500     -0.1960000    


%chk=000097531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097531

0 1
O 0.051599 -0.497494 -0.544071
O 1.476712 2.017780 -0.207139
O 2.006458 -2.689514 -0.162798
O -6.913119 0.176438 0.049998
O -5.837611 -1.705605 0.757622
N 1.417837 -0.369577 -0.206742
N -5.842234 -0.483687 0.339664
C 3.510803 0.579448 0.013124
C 3.667076 -0.831840 0.025066
C 2.059060 0.909542 -0.147533
C 2.323440 -1.481725 -0.126228
C -0.826120 -0.562050 0.695755
C -2.112279 0.148674 0.351265
C 4.612910 1.437617 0.140361
C 4.930002 -1.425005 0.165105
C 5.895597 0.845098 0.278997
C 6.051627 -0.563595 0.291363
C -3.353997 -0.505716 0.489128
C -2.070989 1.495213 -0.102777
C -4.535241 0.205036 0.184820
C -3.266087 2.180689 -0.409874
C -4.516349 1.541865 -0.264531
H -0.283245 -0.055794 1.514338
H -0.980214 -1.625679 0.946118
H 4.480875 2.523953 0.129613
H 5.038793 -2.513948 0.173122
H -3.426546 -1.545637 0.821379
H 6.779364 1.484267 0.376988
H 7.053690 -0.991992 0.398810
H -1.097566 1.984786 -0.225405
H -3.225141 3.216263 -0.761660
H -5.458703 2.047489 -0.490878


