%chk=000133815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133815

0 1
 O   -1.220500       1.355700     -0.9055000    
 O   -2.748700     -0.9034000     -0.1350000    
 O   -1.709500     -0.4959000       1.879400    
 N    4.002200     -0.4820000     -0.5286000    
 N    4.296300     -0.8719000      0.6226000    
 N    4.571200      -1.229100       1.671100    
 C   -2.000900       1.316500      0.2816000    
 C   -1.326100       2.203700       1.326500    
 C   -3.396500       1.833200     -5.3199999E-02
 C   -2.111600     -0.1204000      0.7844000    
 C   6.9600001E-02  0.9020000     -0.8127000    
 C    1.088900       1.788700     -0.4848000    
 C   0.3452000     -0.4402000      -1.047500    
 C   -2.945800      -2.269000      0.2453000    
 C    2.401700       1.326900     -0.3907000    
 C    1.658100     -0.9019000     -0.9532000    
 C    2.686300     -1.8200001E-02 -0.6248000    
 C   -3.660000      -2.994700     -0.8750000    
 H   -1.984100       2.339400       2.193800    
 H  -0.3974000       1.778800       1.721700    
 H   -1.102700       3.198500      0.9254000    
 H   -4.074500       1.753300      0.8032000    
 H   -3.355600       2.883000     -0.3659000    
 H   -3.839900       1.284400     -0.8921000    
 H   0.8858000       2.843100     -0.3239000    
 H  -0.4383000      -1.134800      -1.332000    
 H   -1.974400      -2.740300      0.4316000    
 H   -3.551200      -2.309900       1.157600    
 H    3.196500       2.024600     -0.1398000    
 H    1.870400      -1.950700      -1.144100    
 H   -3.827700      -4.044100     -0.6171000    
 H   -4.625500      -2.523100      -1.085600    
 H   -3.074500      -2.946700      -1.799200    


%chk=000133815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133815

0 1
O -1.190143 1.426225 -0.853545
O -2.749551 -0.891416 -0.056733
O -2.103299 -0.265958 2.086295
N 4.157437 -0.319324 -0.147334
N 4.547431 -1.509165 -0.325839
N 5.106106 -2.550994 -0.442857
C -2.180802 1.456035 0.283991
C -1.733232 2.439855 1.376428
C -3.487095 1.886741 -0.402921
C -2.323807 0.033256 0.890211
C 0.124503 0.956999 -0.598962
C 1.147538 1.864016 -0.229917
C 0.435873 -0.402423 -0.843761
C -2.924633 -2.296605 0.433373
C 2.472448 1.411136 -0.087390
C 1.759858 -0.861618 -0.703275
C 2.780520 0.047258 -0.316907
C -3.417425 -3.118009 -0.752580
H -2.491121 2.489261 2.176713
H -0.785112 2.123063 1.840659
H -1.611969 3.443973 0.935173
H -4.311424 1.945928 0.329631
H -3.343974 2.882043 -0.856954
H -3.755645 1.167370 -1.191642
H 0.900172 2.918826 -0.078517
H -0.364443 -1.075293 -1.166154
H -1.952505 -2.648384 0.824711
H -3.644939 -2.282010 1.271128
H 3.277569 2.096259 0.193715
H 1.999231 -1.913346 -0.899873
H -3.560961 -4.169505 -0.443958
H -4.380477 -2.732050 -1.127776
H -2.689329 -3.096642 -1.581634


