%chk=000148007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148007

0 1
 O   -2.329800      -1.720500      -3.109200    
 O   -2.714700      0.4541000      -1.370900    
 N   -2.800900      -2.581900      0.4570000    
 N    5.880700     -0.2771000     -0.4657000    
 C   -1.855400      -3.044100       1.478300    
 C   -2.117300      -2.349700     -0.8041000    
 C   -2.623700      -3.284400       2.782300    
 C   -1.216400      -4.350800      0.9963000    
 C  -0.7754000      -1.976900       1.692200    
 C   -3.073000      -1.861600      -1.895300    
 C   -3.731800     -0.5235000      -1.566700    
 C   -3.004300       1.479400     -0.5108000    
 C    4.536900      0.1361000     -0.3328000    
 C   -2.001400       2.102400      0.2267000    
 C    4.108300      0.8158000      0.8074000    
 C   -4.328800       1.890200     -0.3862000    
 C    2.777000       1.216200      0.9214000    
 C    3.634000     -0.1432000      -1.358800    
 C    1.875800      0.9366000     -0.1048000    
 C    2.302700      0.2574000      -1.244800    
 C   -2.325400       3.144300       1.095700    
 C    5.054000       1.127500       1.921500    
 C   -4.652600       2.932400      0.4826000    
 C    6.858600      0.5982000      -1.078500    
 C    6.299200      -1.575200      2.2200000E-02
 C   -3.651000       3.559300       1.223600    
 C  -0.6357000       1.691700      0.1097000    
 C   0.5105000       1.347100      1.1700000E-02
 H   -3.245000      -1.722000      0.7764000    
 H   -1.306700      -1.618000     -0.7312000    
 H   -1.669000      -3.268000      -1.197500    
 H   -3.411500      -4.035100       2.648600    
 H   -1.957000      -3.643300       3.574700    
 H   -3.097800      -2.363700       3.142500    
 H  -0.4688000      -4.209800      0.2086000    
 H   -1.968900      -5.065000      0.6407000    
 H  -0.6859000      -4.838300       1.824100    
 H   -1.212700     -0.9837000       1.847400    
 H  -0.1911000      -2.207700       2.591700    
 H  -4.9199998E-02  -1.915500      0.8755000    
 H   -3.854900      -2.608700      -2.077200    
 H   -4.377300     -0.6490000     -0.6894000    
 H   -4.343100     -0.2064000      -2.420300    
 H   -1.973100      -2.595500      -3.339200    
 H   -5.137300       1.456900     -0.9669000    
 H    2.440300       1.747000       1.809600    
 H    3.956100     -0.6726000      -2.251900    
 H    1.610300      3.1599998E-02  -2.052300    
 H   -1.556600       3.644100       1.680400    
 H    5.538500      0.2187000       2.291600    
 H    5.817100       1.838400       1.590100    
 H    4.537700       1.580600       2.775300    
 H   -5.683500       3.261300      0.5767000    
 H    7.763300      5.0200000E-02  -1.363100    
 H    6.457900       1.058300      -1.988600    
 H    7.151000       1.395100     -0.3879000    
 H    5.758200      -1.857500      0.9319000    
 H    6.111900      -2.340300     -0.7384000    
 H    7.367900      -1.585400      0.2615000    
 H   -3.903200       4.371900       1.898700    


%chk=000148007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148007

0 1
O -2.981224 -1.233191 -3.318796
O -2.846671 0.394767 -0.700482
N -2.219981 -2.425994 0.195760
N 5.831453 -0.203765 0.017693
C -1.432706 -3.492690 0.894116
C -1.974103 -2.183870 -1.240509
C -1.767993 -3.360453 2.399810
C -1.894096 -4.883469 0.389411
C 0.104641 -3.334883 0.690398
C -3.259705 -1.671798 -1.936882
C -3.908573 -0.480173 -1.232267
C -3.227902 1.586458 -0.077772
C 4.476056 0.229040 0.117159
C -2.154279 2.361574 0.476762
C 4.135520 1.431231 0.831268
C -4.565213 2.034410 0.025735
C 2.783659 1.826460 0.888791
C 3.435187 -0.483846 -0.549815
C 1.736997 1.098436 0.248862
C 2.096867 -0.064427 -0.490805
C -2.476050 3.590246 1.120441
C 5.194476 2.330755 1.446078
C -4.851427 3.259215 0.671060
C 6.202411 -1.083083 -1.102043
C 6.577287 -0.514533 1.254939
C -3.808542 4.040306 1.217850
C -0.803011 1.908604 0.391008
C 0.378418 1.533769 0.328933
H -2.159122 -1.533564 0.707202
H -1.168278 -1.443025 -1.435770
H -1.680767 -3.135296 -1.724987
H -2.857183 -3.452313 2.558313
H -1.257053 -4.145928 2.984704
H -1.441343 -2.378062 2.792560
H -1.682890 -5.021607 -0.687470
H -2.981062 -4.999283 0.544900
H -1.367290 -5.687249 0.935723
H 0.451172 -2.350522 1.056719
H 0.658610 -4.121140 1.237141
H 0.376018 -3.416071 -0.379329
H -4.010973 -2.491865 -1.942214
H -4.536321 -0.834844 -0.392587
H -4.527596 0.069131 -1.966913
H -2.436797 -1.923632 -3.775267
H -5.384967 1.442766 -0.390561
H 2.525674 2.749858 1.420603
H 3.678034 -1.394439 -1.106212
H 1.316115 -0.632657 -1.008041
H -1.657174 4.182642 1.541526
H 5.434453 2.058116 2.493008
H 6.133225 2.279961 0.866089
H 4.846738 3.378183 1.459868
H -5.890734 3.598150 0.743473
H 5.893782 -2.145486 -0.956488
H 5.755963 -0.714007 -2.040222
H 7.301916 -1.068582 -1.215188
H 6.274401 0.151252 2.074470
H 6.398449 -1.563211 1.587727
H 7.663022 -0.387208 1.086526
H -4.031814 4.989239 1.716090


