%chk=000101555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101555

0 1
 O    5.233300     -0.3796000      0.1093000    
 O    3.532600      -1.085000       1.490900    
 N    1.129300     -0.2303000      0.4516000    
 C   -1.145900      -2.371300      -1.119300    
 C   8.4899999E-02  -2.333600     -0.2011000    
 C   -2.266800      -1.484200     -0.6311000    
 C   -5.427900       1.019200      0.7477000    
 C   -4.321600      0.1434000      0.2653000    
 C   -3.219100      -2.006100      0.2289000    
 C   -2.320300     -0.1655000      -1.052300    
 C   -4.253700      -1.186600      0.6802000    
 C   -3.354800      0.6539000     -0.6008000    
 C   0.9709000      -3.554300     -0.4313000    
 C   0.9031000      -1.093400     -0.4846000    
 C   -6.321900       1.525300     -0.4004000    
 C   -4.915900       2.213200       1.575700    
 C    1.883000      0.8936000      7.5499997E-02
 C    3.272300      0.8858000      0.1745000    
 C    1.219300       2.022300     -0.4002000    
 C    4.002100       2.012700     -0.2042000    
 C    1.949000       3.149200     -0.7790000    
 C    3.340300       3.144300     -0.6810000    
 C    3.989700     -0.2819000      0.6691000    
 C    6.038200      -1.491200      0.5165000    
 H   -1.528500      -3.398500      -1.191200    
 H  -0.8775000      -2.088500      -2.146300    
 H  -0.2205000      -2.322900      0.8528000    
 H   -6.078000      0.4353000       1.413500    
 H   -3.173000      -3.039700      0.5595000    
 H   -1.574500      0.2412000      -1.729000    
 H   -4.998100      -1.600300       1.355200    
 H   -3.388100       1.686600     -0.9370000    
 H    1.303000      -3.615600      -1.473800    
 H    1.867600      -3.507900      0.1964000    
 H   0.4352000      -4.477700     -0.1880000    
 H    1.286800     -0.9657000      -1.514500    
 H   -5.777300       2.187400      -1.082200    
 H   -7.175900       2.084800     -3.5999999E-03
 H   -6.712600      0.6869000     -0.9876000    
 H   -4.294900       1.869800       2.410600    
 H   -5.755800       2.779800       1.992100    
 H   -4.315200       2.902600      0.9724000    
 H   0.1355000       2.037800     -0.4782000    
 H    5.085600       2.047700     -0.1268000    
 H    1.433700       4.030700      -1.148800    
 H    3.907800       4.023200     -0.9727000    
 H    5.543500      -2.431000      0.2540000    
 H    6.230400      -1.443000       1.592500    
 H    6.991700      -1.434200     -1.4900000E-02


%chk=000101555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101555

0 1
O 5.471397 -0.000043 0.636747
O 3.841684 -1.578107 0.115383
N 1.230801 -0.598151 0.244877
C -1.383272 -2.774102 -1.042300
C 0.007141 -2.641509 -0.346286
C -2.385688 -1.718513 -0.595527
C -5.194620 1.394065 0.771347
C -4.221301 0.313975 0.290935
C -2.982356 -1.781315 0.688877
C -2.727603 -0.623888 -1.430532
C -3.882761 -0.783630 1.122438
C -3.627303 0.373998 -0.996491
C 0.970259 -3.777566 -0.790139
C 0.655930 -1.313893 -0.666608
C -6.460270 1.467042 -0.124313
C -4.505555 2.782355 0.862456
C 1.852002 0.647493 0.040191
C 3.274313 0.812124 0.143997
C 1.036292 1.802773 -0.139029
C 3.828876 2.119997 0.082064
C 1.609988 3.085398 -0.211189
C 3.012794 3.251931 -0.095341
C 4.159003 -0.372892 0.283979
C 6.425662 -1.120971 0.772620
H -1.768953 -3.789467 -0.824889
H -1.237898 -2.718112 -2.139717
H -0.122181 -2.689904 0.750860
H -5.522690 1.115747 1.793412
H -2.741487 -2.619107 1.355778
H -2.288102 -0.556608 -2.434151
H -4.331396 -0.856131 2.121402
H -3.870901 1.204800 -1.670365
H 1.125054 -3.763262 -1.886050
H 1.953949 -3.659025 -0.304631
H 0.549693 -4.763781 -0.519503
H 0.674191 -1.022057 -1.740103
H -6.197659 1.752811 -1.160042
H -7.169076 2.221906 0.264396
H -6.977887 0.491799 -0.164558
H -3.625079 2.748272 1.529091
H -5.209061 3.541274 1.252992
H -4.163683 3.120092 -0.133869
H -0.049464 1.668565 -0.195635
H 4.913890 2.221861 0.167855
H 0.962727 3.958085 -0.355110
H 3.458449 4.250517 -0.146019
H 6.511185 -1.673992 -0.178566
H 6.092078 -1.816124 1.561634
H 7.379888 -0.646033 1.041933


