%chk=000147790.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147790

0 1
 O   0.6476000      0.1849000       1.126500    
 O   -4.553200      -1.828000      0.4273000    
 O   -3.477000      -1.647100      -1.482400    
 N    2.629700       1.083200      0.2254000    
 N    2.056800      -2.501300      0.2812000    
 N   -2.074800      0.5588000     -0.5238000    
 N   -2.191200       1.556600       1.456900    
 N   -3.704700      -1.243900     -0.3058000    
 C    2.995800       2.175300     -0.6517000    
 C    1.782200       3.092000     -0.6866000    
 C    3.599500      8.4100001E-02  0.6209000    
 C   0.6867000       2.228000     -0.1489000    
 C    3.844300     -0.9580000     -0.4688000    
 C    1.270300       1.023200      0.4970000    
 C    2.606000      -1.771900     -0.8553000    
 C  -0.6286000       2.438100     -0.2289000    
 C   -1.629500       1.549500      0.2863000    
 C    3.042400      -3.443700      0.8141000    
 C   0.8339000      -3.208900     -0.1023000    
 C   -3.009200     -0.1363000      0.1909000    
 C   -1.663800      0.2676000      -1.881900    
 C   -3.063300      0.4978000       1.409900    
 H    3.212400       1.768100      -1.645200    
 H    3.883700       2.687700     -0.2688000    
 H    3.245600     -0.3990000       1.537900    
 H    4.535000      0.5995000      0.8652000    
 H    1.584400       3.458400      -1.698200    
 H    1.936500       3.950600     -2.3399999E-02
 H    4.673300      -1.609800     -0.1719000    
 H    4.197300     -0.4461000      -1.373700    
 H    2.879200      -2.461000      -1.665900    
 H    1.849500      -1.096900      -1.273200    
 H  -0.9887000       3.340500     -0.7165000    
 H    3.441000      -4.112400      4.2500000E-02
 H    2.588100      -4.067700       1.593300    
 H    3.873800      -2.932500       1.308700    
 H    1.015400      -3.955500     -0.8838000    
 H   7.9300001E-02  -2.503000     -0.4667000    
 H   0.3933000      -3.714600      0.7642000    
 H   -2.534200      0.3418000      -2.539100    
 H  -0.9245000      0.9886000      -2.234800    
 H   -1.208200     -0.7255000      -1.908200    
 H   -3.683300      0.2511000       2.260200    


%chk=000147790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147790

0 1
O 0.491453 -0.024895 0.791990
O -5.557584 -0.850875 0.356155
O -3.827790 -1.801300 -0.811962
N 2.512712 1.038298 0.170102
N 2.742463 -2.964556 0.117888
N -2.311594 0.625322 -0.423316
N -3.006456 2.469173 0.740993
N -4.362053 -0.817235 -0.146427
C 2.988637 2.286988 -0.456272
C 1.735775 3.211042 -0.458271
C 3.441428 -0.013765 0.613072
C 0.568631 2.274819 -0.170886
C 3.976603 -0.894672 -0.544003
C 1.127580 0.962288 0.306881
C 2.939662 -1.966429 -0.958672
C -0.744999 2.651981 -0.220232
C -1.968954 1.896257 0.037134
C 3.740342 -4.049544 0.093380
C 1.355364 -3.458957 0.237316
C -3.608312 0.380108 0.060448
C -1.516508 -0.221711 -1.331735
C -4.006850 1.527854 0.775345
H 3.358120 2.098527 -1.483831
H 3.825841 2.711722 0.128157
H 2.902021 -0.671294 1.319300
H 4.278124 0.473995 1.150452
H 1.619122 3.749010 -1.413920
H 1.820813 3.971377 0.340575
H 4.904585 -1.393683 -0.204640
H 4.252896 -0.268544 -1.416550
H 3.254734 -2.445497 -1.918882
H 1.971102 -1.469253 -1.151988
H -0.957010 3.714361 -0.404101
H 3.643863 -4.718713 -0.800009
H 3.635042 -4.673257 0.999225
H 4.763219 -3.631352 0.091850
H 1.005384 -4.037475 -0.654575
H 0.679830 -2.601521 0.398893
H 1.276639 -4.120976 1.118805
H -2.168748 -0.646663 -2.107486
H -0.737081 0.408240 -1.786915
H -1.037341 -1.034593 -0.767409
H -4.951903 1.687697 1.286721


