%chk=000056497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056497

0 1
 O  -0.2663000      -1.340000     -5.5999998E-03
 O    2.400900     -6.3800000E-02  -2.042900    
 O   9.3000000E-03  -1.172800      -2.286400    
 N   -3.644300      0.1290000     -0.4830000    
 C   -1.686700      -1.337400     -9.9900000E-02
 C   -2.262600      -1.783000       1.240600    
 C   -2.177400      6.4499997E-02 -0.4732000    
 C   -3.778600      -1.637200       1.245600    
 C   -4.200600     -0.2267000      0.8300000    
 C   -4.095700       1.460400     -0.8868000    
 C   0.4105000     -0.9850000      -1.143700    
 C    1.738800     -0.3130000     -0.7995000    
 C    1.484400       1.028500     -0.1146000    
 C    1.467200       1.075800       1.261600    
 C    1.281500       2.143100     -0.8978000    
 C    2.592200      -1.237900     -2.4700001E-02
 C    1.235000       2.300600       1.887200    
 C    1.049400       3.368100     -0.2721000    
 C    1.026200       3.446800       1.120300    
 C    3.286900      -1.997800      0.5946000    
 C    4.129900      -2.922400       1.350600    
 H   -1.992000      -2.061700     -0.8675000    
 H   -1.825500      -1.184300       2.050500    
 H   -1.976200      -2.820800       1.447800    
 H   -1.756000      0.8034000      0.2227000    
 H   -1.807600      0.3406000      -1.466900    
 H   -4.219500      -2.370700      0.5587000    
 H   -4.168300      -1.860700       2.245100    
 H   -5.296200     -0.1966000      0.7893000    
 H   -3.882900      0.4927000       1.596400    
 H   -3.758300       2.240000     -0.1942000    
 H   -5.189500       1.496100     -0.9400000    
 H   -3.725800       1.705500      -1.888600    
 H    1.604800      0.1996000       1.886500    
 H    1.278700       2.104300      -1.982400    
 H    2.569500     -0.9178000      -2.477600    
 H    1.211400       2.361300       2.971300    
 H   0.8823000       4.259900     -0.8690000    
 H   0.8431000       4.400100       1.607400    
 H    4.294200      -2.555400       2.368100    
 H    5.106000      -3.040500      0.8705000    
 H    3.662500      -3.909400       1.417200    


%chk=000056497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056497

0 1
O -0.336109 -0.596201 0.103687
O 2.563918 0.038681 -2.040954
O 0.062234 -0.912957 -2.173612
N -4.032484 -0.234830 -0.587423
C -1.771311 -1.035865 -0.042961
C -2.222288 -1.490103 1.347360
C -2.605264 0.155727 -0.552175
C -3.738845 -1.800913 1.318755
C -4.533676 -0.603665 0.758186
C -4.873100 0.776319 -1.257590
C 0.441017 -0.584970 -1.021052
C 1.922404 -0.141107 -0.732425
C 1.939451 1.217049 -0.003427
C 2.030803 1.295416 1.405168
C 1.815941 2.403016 -0.765652
C 2.570818 -1.231113 0.029267
C 1.996321 2.552453 2.048713
C 1.781490 3.658880 -0.120604
C 1.869125 3.738270 1.288774
C 3.129399 -2.162172 0.613835
C 3.811999 -3.268110 1.299417
H -1.808402 -1.854942 -0.783837
H -2.016318 -0.674711 2.068106
H -1.640718 -2.372642 1.668496
H -2.418639 1.033981 0.119259
H -2.283237 0.425920 -1.572999
H -3.930332 -2.683804 0.679893
H -4.091463 -2.040349 2.339239
H -5.603704 -0.867526 0.669518
H -4.458816 0.259739 1.472551
H -4.900725 1.757157 -0.719152
H -5.909092 0.401788 -1.339743
H -4.493506 0.957272 -2.278726
H 2.132372 0.375960 1.991008
H 1.781896 2.331386 -1.856699
H 2.062092 -0.531225 -2.689574
H 2.072507 2.607000 3.140661
H 1.694960 4.574185 -0.717044
H 1.845741 4.713274 1.788850
H 4.086103 -2.989457 2.333418
H 4.741550 -3.544252 0.768571
H 3.170590 -4.167164 1.348515


