%chk=000044510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044510

0 1
 O    1.336500      0.1995000       1.573200    
 O    3.928200     -3.4899998E-02   2.555000    
 O   -3.747000      0.4111000     -0.6078000    
 O   0.3536000       2.569500      0.5373000    
 O   -2.186500       2.638300     -0.5447000    
 O   -5.718100     -0.6075000      -1.160700    
 N    3.516800     -0.6042000      -1.080500    
 C    3.921000      4.8599999E-02  0.1572000    
 C    3.528900     -0.7661000       1.392100    
 C    2.029800      -1.043100       1.482900    
 C    3.801500      0.2523000      -2.233800    
 C    4.193200      -1.894700      -1.229000    
 C   8.4200002E-02  0.2496000       1.036800    
 C    3.109500       1.598400      -2.102000    
 C    3.729200      -2.616600      -2.482800    
 C   -1.989000     -0.8957000      0.4737000    
 C  -0.6976000     -0.9111000       1.017400    
 C   -2.459600      0.3126000     -4.2700000E-02
 C  -0.4123000       1.442300      0.5137000    
 C   -1.691700       1.478400     -3.0500000E-02
 C   -2.865600      -2.073500      0.4186000    
 C   -4.084900      -1.950300     -0.1242000    
 C   -2.388700      -3.387700      0.9650000    
 C   -4.595700     -0.6828000     -0.6730000    
 C   0.7722000       3.041300       1.816200    
 C   -1.467800       3.226200      -1.627500    
 H    3.452000       1.030500      0.2813000    
 H    5.003200      0.2393000      0.1769000    
 H    4.082900      -1.708000       1.438900    
 H    1.724600      -1.637400      0.6134000    
 H    1.819300      -1.610500       2.397400    
 H    4.878800      0.4048000      -2.375600    
 H    3.405700     -0.1945000      -3.151600    
 H    5.284900      -1.785500      -1.246000    
 H    3.944200      -2.566800     -0.4031000    
 H    3.120600       2.110000      -3.071400    
 H    3.615600       2.265800      -1.397900    
 H    2.060400       1.491100      -1.806200    
 H    4.065400      -3.659300      -2.451000    
 H    4.149000      -2.183300      -3.395700    
 H    2.636800      -2.629400      -2.563100    
 H  -0.3274000      -1.831700       1.458700    
 H    3.691900     -0.5680000       3.333200    
 H   -4.758900      -2.799800     -0.1814000    
 H   -2.167000      -3.307300       2.034600    
 H   -1.488900      -3.724700      0.4392000    
 H   -3.142400      -4.175000      0.8505000    
 H   0.8150000       4.133600       1.774100    
 H   7.4000001E-02   2.757100       2.611200    
 H    1.776800       2.672000       2.040800    
 H  -0.9145000       2.481300      -2.210100    
 H  -0.7888000       3.996700      -1.251600    
 H   -2.192600       3.708000      -2.290400    


%chk=000044510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044510

0 1
O 1.337668 0.337405 0.826548
O 3.712087 0.206744 2.438588
O -4.188120 0.845554 -0.037563
O 0.131132 2.843115 0.616818
O -2.649708 3.058261 0.337231
O -6.302112 -0.010757 -0.388427
N 4.202825 -0.944487 -1.077288
C 4.174685 -0.029846 0.091661
C 3.479180 -0.694021 1.297518
C 1.991335 -0.960496 1.038561
C 4.017304 -0.239076 -2.377259
C 5.390555 -1.844118 -1.066838
C -0.050329 0.360483 0.649327
C 2.563617 0.211363 -2.613952
C 5.157077 -3.161032 -1.831682
C -2.262072 -0.657933 0.322258
C -0.861125 -0.779849 0.544942
C -2.828083 0.643828 0.203785
C -0.629006 1.671242 0.562848
C -2.022776 1.811608 0.334890
C -3.152665 -1.808540 0.195294
C -4.499586 -1.598313 -0.035269
C -2.601870 -3.212825 0.314434
C -5.103964 -0.278563 -0.170340
C 0.993546 3.058748 1.808097
C -2.300070 3.974415 -0.772499
H 3.614229 0.885695 -0.159454
H 5.192790 0.283832 0.414681
H 3.946569 -1.686165 1.490630
H 1.907890 -1.587794 0.128303
H 1.518363 -1.478502 1.900929
H 4.704437 0.639877 -2.459828
H 4.306618 -0.938942 -3.182182
H 6.294623 -1.324945 -1.473202
H 5.621757 -2.084834 -0.011704
H 2.478197 0.739170 -3.582076
H 2.207856 0.895814 -1.823481
H 1.889552 -0.663748 -2.632130
H 6.053880 -3.805829 -1.774475
H 4.941411 -2.984350 -2.900738
H 4.300040 -3.707194 -1.399585
H -0.418320 -1.776275 0.608137
H 3.237537 -0.140099 3.236221
H -5.194241 -2.437011 -0.134383
H -2.116072 -3.369396 1.296140
H -1.839937 -3.410004 -0.463481
H -3.401892 -3.962518 0.205507
H 1.421687 4.061399 1.659777
H 0.374089 3.046600 2.724042
H 1.788125 2.297205 1.862770
H -2.605277 3.531602 -1.739241
H -1.219115 4.195512 -0.767444
H -2.883620 4.886894 -0.580418


