%chk=000050903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050903

0 1
 O   0.8177000       1.066000      0.5443000    
 O   -1.061800      0.9025000      -1.350600    
 O   -1.031900       1.663200       1.773400    
 N    4.731800      0.4163000     -1.1100000E-02
 C    3.079500       1.730200      0.9316000    
 C    3.290900       2.225200     -0.5013000    
 C    3.596300      0.2966000      0.9041000    
 C    4.238300       1.210500      -1.138000    
 C    1.639300       1.837900       1.404100    
 C    5.252100     -0.8776000     -0.4264000    
 C    5.755100      -1.675100      0.7648000    
 C   -1.291600      0.1567000     -0.1378000    
 C  -0.5268000       1.056400      0.8364000    
 C   -2.792100      6.1999999E-02  0.1493000    
 C  -0.6715000      -1.236600     -0.2655000    
 C   -3.248300      1.1500000E-02   1.466500    
 C  -0.6165000      -1.864100      -1.510300    
 C   -3.703400      2.7000001E-02 -0.9062000    
 C  -0.1610000      -1.879200      0.8625000    
 C   -1.578700       2.213400      -1.237900    
 C   -4.615500     -7.4500002E-02   1.728400    
 C  -5.1199999E-02  -3.133900      -1.626900    
 C   -5.070800     -5.8899999E-02 -0.6442000    
 C   0.4045000      -3.149000      0.7456000    
 C   -1.316800       2.959500      -2.528800    
 C   -5.526800     -0.1096000      0.6731000    
 C   0.4593000      -3.776200     -0.4991000    
 H    3.712200       2.327800       1.602700    
 H    2.361600       2.293500      -1.077200    
 H    3.741700       3.224300     -0.4857000    
 H    3.896000     -1.5000000E-02   1.910000    
 H    2.846200     -0.4078000      0.5241000    
 H    5.056000       1.703600      -1.673200    
 H    3.677700      0.5964000      -1.854400    
 H    1.316100       2.885100       1.380200    
 H    1.554500       1.460400       2.429900    
 H    4.498400      -1.466400     -0.9645000    
 H    6.092300     -0.7220000      -1.114000    
 H    6.465000      -1.095400       1.364500    
 H    4.939400      -2.008400       1.414100    
 H    6.275100      -2.573600      0.4150000    
 H   -2.571200     -2.2100000E-02   2.314000    
 H   -1.014600      -1.387900      -2.402000    
 H   -3.376100      4.1600000E-02  -1.942200    
 H  -0.2015000      -1.415900       1.844300    
 H   -1.077500       2.811600     -0.4706000    
 H   -2.653400       2.261400      -1.050600    
 H   -4.970400     -0.1279000       2.753500    
 H  -1.0200000E-02  -3.623400      -2.595600    
 H   -5.780200     -9.2299998E-02  -1.465800    
 H   0.8004000      -3.650200       1.624100    
 H   -1.802200       2.453600      -3.370100    
 H  -0.2443000       2.986500      -2.748900    
 H   -1.690600       3.986200      -2.473700    
 H   -6.591200     -0.1810000      0.8769000    
 H   0.8989000      -4.765200     -0.5897000    


%chk=000050903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050903

0 1
O 0.949485 1.251730 0.403295
O -1.571609 1.428719 -1.577835
O -0.823321 2.520798 1.190928
N 4.639670 -0.267737 0.409721
C 3.317624 1.679989 0.807855
C 3.678206 1.614138 -0.717789
C 3.602151 0.247842 1.339834
C 4.175833 0.164203 -0.939779
C 1.901180 2.173648 1.101786
C 4.902634 -1.720341 0.504214
C 5.518863 -2.129743 1.854097
C -1.278480 0.614619 -0.358995
C -0.395810 1.545464 0.522808
C -2.581597 0.169062 0.331645
C -0.493267 -0.612790 -0.860430
C -2.880416 0.397302 1.695855
C 0.030826 -0.662632 -2.172777
C -3.516400 -0.543803 -0.466118
C -0.276499 -1.706230 0.013912
C -2.503097 2.574205 -1.415995
C -4.088850 -0.085598 2.252734
C 0.756167 -1.796210 -2.606388
C -4.724372 -1.014161 0.085415
C 0.456731 -2.832737 -0.415574
C -2.617236 3.221017 -2.796268
C -5.014943 -0.789311 1.452997
C 0.975451 -2.883870 -1.730857
H 4.004913 2.387588 1.310905
H 2.801910 1.830979 -1.352410
H 4.470122 2.344517 -0.955904
H 3.968471 0.250466 2.381431
H 2.667509 -0.366651 1.292515
H 5.002238 0.093215 -1.669959
H 3.331617 -0.473147 -1.303078
H 1.725973 3.196935 0.721920
H 1.663097 2.156986 2.181791
H 3.964763 -2.310677 0.324650
H 5.606328 -1.982244 -0.309780
H 6.437497 -1.547961 2.048050
H 4.818538 -1.958941 2.691662
H 5.778097 -3.204378 1.848757
H -2.189801 0.965778 2.324326
H -0.143370 0.181910 -2.843766
H -3.283078 -0.725147 -1.521489
H -0.692751 -1.684205 1.027826
H -2.103042 3.280834 -0.664590
H -3.484026 2.204204 -1.060070
H -4.306291 0.097426 3.311090
H 1.150481 -1.828334 -3.628659
H -5.435084 -1.560646 -0.544684
H 0.615080 -3.672703 0.270394
H -3.002582 2.499785 -3.537898
H -1.633875 3.584143 -3.142416
H -3.310750 4.080726 -2.751846
H -5.951001 -1.158792 1.886763
H 1.538291 -3.761540 -2.068723


