%chk=000125178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125178

0 1
 O   -1.881600       2.191400      -2.096900    
 O   -2.733500       1.534800     -0.1832000    
 N  -0.7583000     -0.4438000      -1.242000    
 N   -2.866800      -2.143600       1.238100    
 N    2.714400      0.8175000      0.7360000    
 N   -1.783500       1.976900     -0.8677000    
 C   -1.534600      -1.541800     -0.7723000    
 C   -2.418600      -1.051400      0.3812000    
 C   0.4060000      1.3200000E-02 -0.5672000    
 C   0.5052000       1.318500     -7.5000003E-02
 C    1.462100     -0.8896000     -0.4072000    
 C   -2.330900      -2.115300      -1.942100    
 C    1.694200       1.683000      0.5792000    
 C    2.613600     -0.4386000      0.2601000    
 C  -0.5404000       2.246500     -0.2218000    
 C    1.389600      -2.207200     -0.8918000    
 C    1.799000       2.981300       1.071200    
 C   -4.029400      -1.734600       2.027800    
 C   -1.784100      -2.584700       2.118800    
 C    3.668400      -1.332800      0.4225000    
 C  -0.4105000       3.538300      0.2794000    
 C   0.7618000       3.906100      0.9272000    
 C    2.458200      -3.081300     -0.7165000    
 C    3.599800      -2.642800     -5.7900000E-02
 H  -0.9358000      -2.363900     -0.3929000    
 H   -3.314900     -0.6086000     -6.5600000E-02
 H   -1.914400     -0.3080000       1.008300    
 H   -1.091600      0.1090000      -2.022700    
 H   -3.001500      -1.365000      -2.376300    
 H   -1.662800      -2.459500      -2.739300    
 H   -2.940000      -2.966900      -1.621500    
 H   0.5996000      -2.578200      -1.533500    
 H    2.707700       3.293800       1.582800    
 H   -4.867700      -1.467100       1.374700    
 H   -3.808200     -0.8789000       2.676000    
 H   -4.378500      -2.561900       2.655900    
 H  -0.9336000      -2.995300       1.567900    
 H   -2.134000      -3.396700       2.767400    
 H   -1.418500      -1.776800       2.763700    
 H    4.574500      -1.012700      0.9337000    
 H   -1.208300       4.269700      0.1755000    
 H   0.8738000       4.911600       1.322100    
 H    2.413300      -4.088800      -1.118900    
 H    4.442300      -3.314600      7.7600002E-02


%chk=000125178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125178

0 1
O -1.768210 1.867092 -2.109668
O -2.667854 3.208855 -0.501031
N -0.866950 -0.382269 -0.921911
N -3.175813 -2.445306 1.270565
N 2.902701 0.984292 0.594467
N -1.676136 2.541998 -0.992638
C -1.510057 -1.635587 -0.451287
C -2.552714 -1.257904 0.650325
C 0.370568 0.116394 -0.555723
C 0.587586 1.520663 -0.239750
C 1.512074 -0.774338 -0.463155
C -2.180990 -2.390980 -1.612981
C 1.881585 1.867341 0.365686
C 2.735231 -0.304452 0.160096
C -0.367358 2.611159 -0.307111
C 1.508085 -2.093484 -1.030065
C 2.134963 3.207002 0.827548
C -4.522347 -2.177240 1.817279
C -2.300653 -3.116302 2.253652
C 3.842069 -1.209957 0.315916
C -0.101361 3.894532 0.196286
C 1.165682 4.201742 0.759098
C 2.612430 -2.937069 -0.904695
C 3.780217 -2.503910 -0.193928
H -0.737935 -2.270473 0.012743
H -3.351142 -0.651677 0.178914
H -2.044903 -0.603580 1.403753
H -1.490215 0.265920 -1.424428
H -2.874793 -1.725243 -2.160799
H -1.438885 -2.772550 -2.337001
H -2.763531 -3.234601 -1.205986
H 0.650056 -2.416060 -1.625682
H 3.128452 3.387347 1.248053
H -5.171110 -1.762872 1.025751
H -4.520350 -1.459411 2.675488
H -4.973988 -3.122949 2.167735
H -1.342782 -3.406823 1.788089
H -2.789618 -4.038707 2.614097
H -2.070150 -2.474644 3.141470
H 4.731279 -0.825025 0.824108
H -0.880240 4.657219 0.115425
H 1.369103 5.214206 1.119835
H 2.596521 -3.928503 -1.369947
H 4.632986 -3.182645 -0.083796


