%chk=000163723.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163723

0 1
 O   -1.506200      -2.079800       1.145600    
 O   -2.773300       1.860800      0.2055000    
 N   -1.400800     -6.1000001E-02 -4.4000000E-02
 N   -3.659100     -0.2865000     -0.2283000    
 N  -2.0800000E-02   1.859500      8.2000002E-02
 N    1.215500       2.425000      0.1185000    
 C    3.454000     -0.5830000     -8.3800003E-02
 C   -1.672900      -1.490200     -0.1384000    
 C   -3.127600      -1.585000     -0.5682000    
 C    2.226000      0.2544000     -2.6500000E-02
 C   -2.636100      0.6605000      4.9999999E-03
 C  -0.1361000      0.5128000     -7.3000002E-03
 C   0.9681000     -0.3211000     -6.3699998E-02
 C    3.514300      -1.588500       1.109700    
 C    4.809200      0.2009000     -3.1599998E-02
 C    3.512600      -1.418800      -1.401700    
 C   -5.071800      1.0300000E-02 -0.1373000    
 C    2.304900       1.629600      6.4700000E-02
 H   -1.032300      -1.998800     -0.8656000    
 H   -3.225600      -1.699800      -1.652400    
 H   -3.684100      -2.370500     -4.8900001E-02
 H   0.8829000      -1.398200     -0.1354000    
 H    2.671000      -2.287700       1.097500    
 H    4.432000      -2.187300       1.081300    
 H    3.488400      -1.056300       2.068000    
 H    5.665300     -0.4828000     -7.7900000E-02
 H    4.902900      0.8935000     -0.8763000    
 H    4.903400      0.7742000      0.8980000    
 H    4.430300      -2.015800      -1.455400    
 H    2.669300      -2.113500      -1.482400    
 H    3.485500     -0.7626000      -2.279600    
 H   -5.535200     -0.1938000      -1.106100    
 H   -5.229500       1.057900      0.1308000    
 H   -5.516500     -0.6329000      0.6265000    
 H    3.236300       2.179800      0.1003000    
 H  -0.6211000      -1.845900       1.468200    


%chk=000163723-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163723

0 1
O -1.263634 -2.527268 0.264333
O -2.668839 1.568034 1.058957
N -1.411265 -0.105546 -0.157985
N -3.655224 -0.324426 0.024754
N -0.060376 1.820326 -0.440145
N 1.173000 2.412650 -0.499075
C 3.590608 -0.595590 0.008264
C -1.695952 -1.454561 -0.651515
C -3.235142 -1.416313 -0.861356
C 2.305878 0.242734 -0.142752
C -2.595921 0.524127 0.374576
C -0.116805 0.464273 -0.197102
C 1.031363 -0.354641 -0.045647
C 3.595468 -1.266658 1.415427
C 4.871213 0.266342 -0.133691
C 3.608541 -1.699433 -1.092047
C -5.047428 0.012190 0.298811
C 2.304495 1.647451 -0.361564
H -1.136053 -1.682390 -1.570706
H -3.487919 -1.202962 -1.920628
H -3.685623 -2.384086 -0.578622
H 0.900172 -1.421507 0.160984
H 2.718422 -1.922630 1.559281
H 4.504908 -1.884344 1.533967
H 3.587772 -0.505226 2.216461
H 5.761322 -0.378574 -0.019513
H 4.933570 0.750338 -1.125709
H 4.926691 1.051560 0.642514
H 4.517825 -2.319760 -0.987012
H 2.731937 -2.367742 -1.016728
H 3.611955 -1.251255 -2.102533
H -5.601203 0.242068 -0.633356
H -5.055844 0.907675 0.942073
H -5.564544 -0.812842 0.823697
H 3.230171 2.222182 -0.441714
H -1.700642 -2.394797 1.146101


