%chk=000047783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047783

0 1
 O   -4.709500     -0.5663000     -0.6198000    
 O  -0.7152000       3.032700      3.4899998E-02
 N  -0.8017000      0.7474000      7.4600004E-02
 N   -2.168100      0.6128000      0.1046000    
 N    1.251300       1.857000     -1.8400000E-02
 C  -0.2326000     -0.5003000      6.0899999E-02
 C    1.093900     -0.6402000      1.1700000E-02
 C   -2.463700     -0.7382000      0.1631000    
 C   -1.322600      -1.456100      0.1178000    
 C    1.817800      0.6834000     -2.8000001E-02
 C  -0.1335000       1.948600      3.0700000E-02
 C    1.840900      -1.874000     -4.3000001E-03
 C   -3.854600      -1.231500      0.3006000    
 C    3.307000      0.5870000     -8.1699997E-02
 C    3.179600      -1.853400     -5.4099999E-02
 C    3.911000     -0.6091000     -9.2500001E-02
 H   -1.226900      -2.528400      0.1561000    
 H   -2.770200       1.314100      0.5145000    
 H    1.312600      -2.820700      2.4000000E-02
 H   -4.222500      -1.033800       1.312700    
 H   -3.914700      -2.308200      0.1117000    
 H    3.879100       1.507500     -0.1113000    
 H    3.748300      -2.776800     -6.6600002E-02
 H    4.993700     -0.6715000     -0.1315000    
 H   -5.606200     -0.9159000     -0.4807000    


%chk=000047783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047783

0 1
O -4.735897 -0.038265 0.143078
O -0.926886 2.938899 -0.153952
N -0.828448 0.608799 -0.000585
N -2.195650 0.472983 0.042470
N 1.203226 1.845297 -0.131829
C -0.245064 -0.643991 0.069974
C 1.191871 -0.674048 0.037373
C -2.512928 -0.857832 0.140557
C -1.314261 -1.594359 0.160845
C 1.851099 0.618669 -0.065099
C -0.142989 1.945077 -0.106308
C 1.951434 -1.877416 0.100365
C -3.956080 -1.277765 0.204816
C 3.284223 0.623006 -0.099690
C 3.350259 -1.832417 0.064020
C 4.012523 -0.569895 -0.036753
H -1.218383 -2.674143 0.231234
H -2.793815 1.303113 0.001379
H 1.432261 -2.840536 0.178004
H -4.142163 -1.831740 1.148211
H -4.187986 -1.949906 -0.647221
H 3.777893 1.596164 -0.177258
H 3.935178 -2.756586 0.112526
H 5.107558 -0.536945 -0.065004
H -5.703778 -0.230063 0.177846


