%chk=000093078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093078

0 1
 O    1.022500      0.4643000       1.355000    
 O    1.124000      -3.121400     -0.9141000    
 O  -0.3851000      -4.042100      0.4951000    
 O    4.673900       1.219200       1.360300    
 O    4.139500     -0.1835000     -0.3449000    
 N   0.3101000     -0.6628000     -0.5425000    
 N   0.7894000       2.309300      -1.185500    
 C  -0.4859000      -1.650500      0.1472000    
 C   -1.949200      -1.599500     -0.3110000    
 C    1.748700       1.268000     -0.8150000    
 C   -2.586500     -0.2475000     -9.7700000E-02
 C    1.008600      0.3277000      0.1332000    
 C    2.963400       1.918700     -0.1526000    
 C   7.5099997E-02  -3.049600     -5.9799999E-02
 C   -3.229900      1.8400000E-02   1.100600    
 C   -2.516200      0.7030000      -1.103900    
 C   -3.818500       1.267500       1.297900    
 C   -3.104800       1.952100     -0.9064000    
 C    3.977100      0.8744000      0.2495000    
 C   -3.756000       2.234300      0.2946000    
 H  -0.4287000      -1.456900       1.225300    
 H   -2.536800      -2.365100      0.2135000    
 H   -2.020400      -1.867800      -1.374600    
 H    2.058200      0.7236000      -1.714500    
 H   0.3773000     -0.7229000      -1.554400    
 H    2.660700       2.471200      0.7459000    
 H    3.457100       2.620000     -0.8347000    
 H   -3.281300     -0.7274000       1.888600    
 H   -2.017700      0.4918000      -2.045500    
 H   0.4480000       2.788900     -0.3535000    
 H  -2.0800000E-02   1.890600      -1.638300    
 H   -4.324900       1.487600       2.233200    
 H   -3.056600       2.704700      -1.688000    
 H   -4.214100       3.206900      0.4482000    
 H    1.449500      -4.040900      -1.019000    
 H    5.319100      0.5265000       1.617500    


%chk=000093078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093078

0 1
O 0.972590 0.591892 2.416366
O 1.657548 -2.295712 0.727064
O -0.144952 -3.350983 1.739774
O 4.220342 0.076506 -1.966005
O 1.933305 0.389231 -2.053692
N 0.296806 -0.004617 0.271595
N 2.348787 2.849220 1.512990
C -0.507579 -1.132507 0.726000
C -1.549167 -1.557566 -0.356677
C 1.942989 1.841592 0.519736
C -2.574178 -0.468609 -0.636294
C 1.018422 0.760131 1.156305
C 3.216366 1.171806 -0.076014
C 0.320918 -2.362197 1.134898
C -3.604598 -0.201711 0.301867
C -2.518856 0.303135 -1.823743
C -4.555407 0.813729 0.061199
C -3.469371 1.321164 -2.069009
C 3.016628 0.521613 -1.425412
C -4.490152 1.580324 -1.126370
H -1.044325 -0.834028 1.645817
H -2.045440 -2.472095 0.015210
H -1.009624 -1.827641 -1.284813
H 1.402996 2.342303 -0.305144
H 0.484498 0.114359 -0.733818
H 3.632121 0.419509 0.621533
H 3.986570 1.958531 -0.174251
H -3.667487 -0.797997 1.221278
H -1.732818 0.104190 -2.563444
H 2.446580 2.416351 2.443466
H 1.697317 3.640381 1.562797
H -5.347630 1.004712 0.793787
H -3.414160 1.907440 -2.993228
H -5.228837 2.367157 -1.315803
H 2.126155 -3.118220 1.036760
H 4.052441 -0.340590 -2.855026


