%chk=000056710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056710

0 1
 O    1.852400       1.829800      0.1396000    
 O   -1.717900       1.017300      -1.069200    
 O  -0.2263000       2.449400      0.8176000    
 N   0.2881000      0.1514000      0.4417000    
 N   -3.360000     -0.2329000     -9.8000001E-03
 C    1.362600     -0.7641000      5.2999999E-02
 C   -1.009500     -0.3817000      0.7439000    
 C   -2.044700      0.2051000     -0.1997000    
 C    1.508700      -1.040700      -1.274200    
 C    2.145300      -1.278000       1.044300    
 C   -4.468900      0.2403000     -0.8347000    
 C   -3.721200      -1.193700       1.025100    
 C    2.533000      -1.912100      -1.644600    
 C    3.169700      -2.149200      0.6739000    
 C   0.5588000       1.555300      0.5106000    
 C   0.6356000     -0.4631000      -2.340900    
 C    1.963300     -0.9570000       2.492600    
 C   -5.111800       1.477800     -0.2433000    
 C   -3.637000      -2.617300      0.5143000    
 C    3.363500      -2.466300     -0.6703000    
 C    2.234500       3.210700      0.1303000    
 C    3.681800       3.319100     -0.3001000    
 H   -1.245800     -6.7000002E-02   1.765500    
 H  -0.9913000      -1.471600      0.6770000    
 H   -4.079500      0.4864000      -1.829000    
 H   -5.203900     -0.5618000     -0.9609000    
 H   -3.081700      -1.083400       1.903700    
 H   -4.740600     -0.9810000       1.367800    
 H    2.697500      -2.171400      -2.687100    
 H    3.826200      -2.590200       1.419400    
 H  -0.3669000     -0.8972000      -2.289600    
 H    1.029300     -0.6832000      -3.340000    
 H   0.5853000      0.6269000      -2.266000    
 H    2.086300      0.1164000       2.668700    
 H   0.9717000      -1.270400       2.834600    
 H    2.699100      -1.473200       3.119100    
 H   -5.925000       1.829000     -0.8858000    
 H   -4.383700       2.289200     -0.1400000    
 H   -5.525600       1.275100      0.7498000    
 H   -3.891300      -3.321700       1.312600    
 H   -2.637600      -2.866800      0.1476000    
 H   -4.336800      -2.780600     -0.3121000    
 H    4.160900      -3.145000     -0.9587000    
 H    2.115300       3.628400       1.136200    
 H    1.597600       3.760100     -0.5717000    
 H    3.820200       2.887100      -1.296800    
 H    4.329200       2.757700      0.3817000    
 H    4.007800       4.362700     -0.3185000    


%chk=000056710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056710

0 1
O 1.956626 1.962670 0.102666
O -1.830644 0.578107 -1.389151
O -0.143447 2.528102 0.990135
N 0.363755 0.318126 0.387312
N -3.337600 -0.389269 0.086547
C 1.316319 -0.677907 -0.080806
C -0.971606 -0.101642 0.831574
C -2.069125 0.058678 -0.255842
C 1.673459 -0.751043 -1.459914
C 1.863276 -1.582604 0.878391
C -4.427616 -0.228106 -0.909470
C -3.689228 -1.015863 1.380869
C 2.557289 -1.784050 -1.862767
C 2.741930 -2.598852 0.429953
C 0.653019 1.670645 0.518625
C 1.167891 0.252818 -2.473688
C 1.550749 -1.460901 2.360992
C -5.161470 1.121223 -0.760690
C -3.623808 -2.560379 1.349624
C 3.081504 -2.707943 -0.934740
C 2.344391 3.397007 0.223140
C 3.776033 3.502843 -0.293306
H -1.255900 0.516873 1.704382
H -0.917547 -1.156267 1.150593
H -3.974667 -0.294555 -1.912807
H -5.130884 -1.073660 -0.788068
H -3.033672 -0.624336 2.176914
H -4.715100 -0.693383 1.642096
H 2.833407 -1.855750 -2.921386
H 3.169839 -3.295331 1.161047
H 0.103246 0.492686 -2.307671
H 1.302984 -0.124465 -3.502218
H 1.734294 1.198828 -2.376964
H 1.422173 -0.406675 2.661911
H 0.620947 -1.996458 2.639400
H 2.365345 -1.896633 2.964671
H -5.973898 1.200909 -1.506353
H -4.456526 1.953429 -0.924631
H -5.608099 1.232840 0.244725
H -3.931605 -2.979468 2.325357
H -2.600937 -2.913787 1.128176
H -4.296181 -2.969163 0.574399
H 3.760760 -3.499713 -1.270590
H 2.255003 3.698315 1.282847
H 1.634339 4.004468 -0.366889
H 3.838792 3.187403 -1.349038
H 4.455839 2.866901 0.299104
H 4.123051 4.549933 -0.220866


