%chk=000042298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042298

0 1
 O    3.095600      -1.690600     -0.8684000    
 O  -0.3328000       1.338100     -2.7600000E-02
 O  -1.0000000E-03  -1.163000       1.690800    
 O   -2.229700       2.237100      0.9042000    
 O  -0.1476000      -2.679000     -2.8300000E-02
 N    2.388000       1.835500     -0.3008000    
 N   -2.254900       1.289700      -1.213300    
 N   -2.042000      -1.732900      0.9194000    
 C    1.847800       1.223600      0.9416000    
 C    1.986000     -0.2615000      0.7291000    
 C    3.163800      0.7894000     -0.9986000    
 C    2.724700     -0.4807000     -0.3621000    
 C   0.4028000       1.675400       1.134000    
 C    1.415100      -1.266400       1.663400    
 C    3.174500       3.035800     -4.9300000E-02
 C    2.608400      -1.871100      -2.190200    
 C   -1.664600       1.674500     -2.7899999E-02
 C  -0.6842000      -1.930600      0.7821000    
 C   -3.650200       1.503700      -1.520900    
 C   -3.035300      -2.397200      0.1075000    
 C   -4.369200       2.198000     -0.3829000    
 C   -2.395100      -3.327800     -0.9017000    
 H    2.445400       1.500400       1.820400    
 H    2.930900      0.8333000      -2.065900    
 H    4.246000      0.9062000     -0.8644000    
 H  -4.6700001E-02   1.227500       2.026700    
 H   0.3761000       2.764700       1.267200    
 H    1.738600      -2.287600       1.428900    
 H    1.776900      -1.061100       2.677000    
 H    2.561400       3.802800      0.4356000    
 H    4.043700       2.837100      0.5876000    
 H    3.529900       3.462400     -0.9936000    
 H    2.714100      -2.929700      -2.445900    
 H    3.203100      -1.295200      -2.906400    
 H    1.547400      -1.608900      -2.273400    
 H   -1.676400      0.8278000      -1.908400    
 H   -2.361600      -1.081800       1.630000    
 H   -4.097500      0.5271000      -1.728700    
 H   -3.698200       2.102500      -2.435600    
 H   -3.625600      -1.624000     -0.3926000    
 H   -3.697400      -2.948900      0.7818000    
 H   -4.396700       1.597500      0.5323000    
 H   -3.990200       3.207200     -0.1916000    
 H   -5.418700       2.332200     -0.6738000    
 H   -1.775100      -2.799900      -1.633700    
 H   -1.850500      -4.154400     -0.4340000    
 H   -3.195200      -3.800400      -1.485600    


%chk=000042298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042298

0 1
O 3.032920 -0.485992 -2.231487
O -0.269204 1.763572 0.321889
O 0.285797 -1.520040 1.003799
O -2.107721 0.664619 1.336189
O 0.002213 -3.038485 -0.787883
N 2.591478 2.234417 0.120275
N -2.237761 1.687726 -0.775218
N -1.816398 -2.064813 0.357219
C 2.033059 1.152405 0.973102
C 2.135853 -0.115811 0.119825
C 3.088863 1.679703 -1.152847
C 2.700823 0.212746 -1.085924
C 0.611224 1.495531 1.480521
C 1.758581 -1.439163 0.716397
C 3.421416 3.243803 0.778257
C 2.722929 -1.924871 -2.346172
C -1.589607 1.313600 0.378593
C -0.490066 -2.279695 0.097873
C -3.648695 1.375106 -1.041127
C -2.883520 -2.774081 -0.361473
C -4.461468 2.629730 -1.418020
C -3.736499 -3.657689 0.573183
H 2.639048 1.020202 1.909424
H 2.641211 2.175152 -2.038694
H 4.197226 1.763601 -1.256090
H 0.181336 0.676339 2.082054
H 0.647396 2.426164 2.078095
H 2.030708 -2.304937 0.095943
H 2.207488 -1.553790 1.720277
H 2.891586 3.654534 1.657100
H 4.413596 2.856250 1.126397
H 3.610822 4.087204 0.089596
H 2.931323 -2.172129 -3.397743
H 1.668758 -2.139712 -2.098699
H 3.390859 -2.513607 -1.689118
H -1.687309 2.196021 -1.469532
H -2.048397 -1.289745 0.997470
H -4.048658 0.914455 -0.121736
H -3.721499 0.620808 -1.851358
H -2.399306 -3.388922 -1.139323
H -3.531577 -2.034602 -0.874275
H -4.438187 3.371076 -0.600607
H -4.063352 3.109200 -2.331933
H -5.514367 2.357310 -1.613864
H -3.111209 -4.430544 1.053045
H -4.209949 -3.054797 1.369465
H -4.537963 -4.161049 0.001135


