%chk=000019009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019009

1 1
 O   -5.980700      0.1538000     -7.4100003E-02
 O   -4.659000      -2.142200      0.7582000    
 O    4.489800       1.537400      8.0300003E-02
 O    6.019800     -0.7400000     -3.3300001E-02
 N   0.3070000       1.263100      0.1053000    
 C  -0.4693000       2.525400      0.2027000    
 C   -1.695500       2.445000     -0.6866000    
 C  -0.3177000      4.9800001E-02  7.8500003E-02
 C   -2.488000       1.227100     -0.3070000    
 C   -1.793200      6.1999999E-02  7.7600002E-02
 C    1.657100       1.353700      9.9200003E-02
 C   0.4653000      -1.115700      1.8300001E-02
 C    2.470400      0.2230000      4.6100002E-02
 C    1.861900      -1.040600      2.9000000E-03
 C   -3.888800       1.248300     -0.3662000    
 C   -2.560000      -1.060500      0.4382000    
 C   -4.621000      0.1197000     -1.3100000E-02
 C   -3.957300      -1.031900      0.3945000    
 C    3.871700      0.3192000      3.4800000E-02
 C    2.668000      -2.190500     -5.5700000E-02
 C    4.660500     -0.8298000     -2.2000000E-02
 C    4.058900      -2.083800     -6.7800000E-02
 C   -4.966300      -3.080000     -0.2711000    
 C   -6.580600       1.375200     -0.5026000    
 C    4.794800       2.056500       1.371000    
 C    6.652300     -0.6444000      -1.308000    
 H   0.1619000       3.364200     -0.1083000    
 H  -0.7254000       2.644800       1.262500    
 H   -1.407200       2.366800      -1.741500    
 H   -2.290600       3.356400     -0.5621000    
 H    2.058900       2.360100      0.1378000    
 H  -8.3999997E-03  -2.093600     -3.1800002E-02
 H   -4.344900       2.177400     -0.6917000    
 H   -2.079200      -1.978400      0.7693000    
 H    2.217300      -3.180100     -9.0999998E-02
 H    4.665400      -2.984300     -0.1117000    
 H    3.894800       2.132600       1.989100    
 H    5.537200       1.426400       1.870800    
 H    5.216600       3.057600       1.246100    
 H   -5.531500      -3.903700      0.1734000    
 H   -4.047600      -3.482600     -0.7096000    
 H   -5.580300      -2.613300      -1.047700    
 H   -6.306200       1.619300      -1.534600    
 H   -6.367000       2.195200      0.1914000    
 H   -7.664900       1.223000     -0.4901000    
 H    6.313700      0.2498000      -1.840800    
 H    7.731600     -0.5695000      -1.150100    
 H    6.447200      -1.538300      -1.905600    


%chk=000019009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019009

1 1
O -6.016624 -0.069466 -0.269625
O -4.509678 -2.399231 0.544465
O 4.498458 1.612704 0.191331
O 6.151040 -0.851081 0.027465
N 0.356565 1.255064 0.079989
C -0.465540 2.511008 0.175815
C -1.673239 2.433802 -0.767291
C -0.315365 0.012485 0.016318
C -2.483120 1.190740 -0.443823
C -1.785137 0.015715 -0.040976
C 1.714697 1.346507 0.113887
C 0.478964 -1.144576 -0.006231
C 2.538607 0.202966 0.095710
C 1.899509 -1.100894 0.047050
C -3.886007 1.165784 -0.543273
C -2.528257 -1.158990 0.249741
C -4.629130 -0.002817 -0.242409
C -3.931456 -1.198375 0.154251
C 3.973999 0.319150 0.133987
C 2.723049 -2.269684 0.051324
C 4.753262 -0.854968 0.054201
C 4.111544 -2.136915 0.054680
C -5.805828 -2.862946 -0.006980
C -6.774928 1.134790 -0.649226
C 5.480119 1.894092 1.282070
C 6.791283 -0.139259 -1.115818
H 0.191208 3.361766 -0.065942
H -0.805399 2.604663 1.224203
H -1.328507 2.420671 -1.820595
H -2.278692 3.347742 -0.638315
H 2.155081 2.344944 0.155116
H -0.017297 -2.113955 -0.088811
H -4.410281 2.077905 -0.844214
H -2.047001 -2.079789 0.591075
H 2.261603 -3.261587 0.035957
H 4.765732 -3.014382 0.035603
H 4.958090 1.870050 2.254792
H 6.301599 1.159394 1.277399
H 5.854864 2.905301 1.071498
H -5.859106 -3.918800 0.296476
H -5.814767 -2.781167 -1.108037
H -6.642211 -2.290482 0.419592
H -6.526513 1.450138 -1.679526
H -6.585457 1.959233 0.062752
H -7.829531 0.831715 -0.595875
H 6.448734 0.908104 -1.183515
H 7.869372 -0.182953 -0.908106
H 6.563195 -0.674518 -2.054256


