%chk=000100416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100416

0 1
 O   -2.416400     -0.1311000      0.9228000    
 O   -4.158600       2.162800     -0.1880000    
 O   -3.907600      -2.491100      0.7739000    
 O    3.451200      -2.422100     -0.2267000    
 N  -0.2253000      0.3048000      0.1251000    
 N   0.9609000       2.401300      0.2539000    
 N    3.378700       2.140700      0.1372000    
 N    4.436900      1.6300000E-02 -8.2300000E-02
 N    1.456800      -3.525000     -0.2613000    
 C   -1.588900      0.8129000      0.2212000    
 C   -2.257900       1.068900      -1.121600    
 C   -3.720300      0.9341000     -0.7639000    
 C   -3.718800     -0.1574000      0.3013000    
 C   -3.935200      -1.546800     -0.2819000    
 C   0.9204000       1.062100      0.1434000    
 C   0.1159000      -1.021600      6.9999998E-04
 C    2.008600      0.2055000      2.8999999E-02
 C    1.490200      -1.111700     -6.0899999E-02
 C    3.271300      0.7963000      2.8899999E-02
 C    2.205400      -2.349200     -0.1924000    
 C    2.232400       2.850200      0.2416000    
 H   -1.555200       1.723000      0.8316000    
 H   -1.977800      0.2995000      -1.850800    
 H   -1.986100       2.048200      -1.527600    
 H   -4.363000      0.7211000      -1.622000    
 H   -4.452500      3.4299999E-02   1.092600    
 H   -3.141100      -1.812400     -0.9870000    
 H   -4.903900      -1.612600     -0.7869000    
 H  -0.6573000      -1.776800     -3.8600001E-02
 H   -3.699400       2.297000      0.6578000    
 H   -4.048300      -3.368100      0.3780000    
 H    2.352900       3.924800      0.3268000    
 H    5.331800      0.4880000     -7.8400001E-02
 H    4.407100     -0.9856000     -0.1698000    
 H   0.4440000      -3.555400     -0.2326000    
 H    1.924600      -4.421700     -0.3468000    


%chk=000100416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100416

0 1
O -2.638882 -0.054126 1.180913
O -4.745200 1.884017 0.145535
O -2.846326 -2.612521 -0.208778
O 3.184584 -2.705278 -0.066964
N -0.383665 0.313596 0.439620
N 0.867930 2.344815 -0.143197
N 3.224547 1.932461 -0.685092
N 4.199261 -0.211706 -0.657436
N 1.207411 -3.686405 0.595299
C -1.679196 0.971494 0.760572
C -2.311746 1.704748 -0.458950
C -3.737962 1.099192 -0.577293
C -3.577787 -0.308296 0.044711
C -3.063514 -1.357256 -0.948531
C 0.780991 0.994950 0.057652
C -0.095479 -1.041541 0.569146
C 1.825303 0.033811 -0.077081
C 1.256221 -1.265712 0.248308
C 3.100376 0.571634 -0.475993
C 1.946804 -2.569979 0.245469
C 2.128491 2.724566 -0.509629
H -1.512020 1.638020 1.623145
H -1.715288 1.520694 -1.367274
H -2.359467 2.793041 -0.306840
H -4.109673 1.080022 -1.613862
H -4.509101 -0.664476 0.513329
H -2.121917 -1.025236 -1.431892
H -3.839894 -1.489142 -1.731582
H -0.893549 -1.723205 0.861482
H -4.507431 1.890589 1.109183
H -2.769804 -3.358478 -0.855041
H 2.279183 3.794533 -0.684175
H 5.069538 0.239135 -0.935066
H 4.105015 -1.233166 -0.498313
H 0.229589 -3.637128 0.873056
H 1.688154 -4.584467 0.611872


