%chk=000100088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100088

0 1
 O    2.618900     -0.7719000       2.078900    
 O    4.823200      0.5038000      -1.347400    
 O   -1.889300     -0.2092000     -0.1605000    
 O    5.726500       2.164200     -0.1146000    
 O  -7.2300002E-02  7.0200004E-02  -1.537300    
 N    2.611100      0.3518000      4.6700001E-02
 N   1.8800000E-02  -1.289200      0.3414000    
 C    1.615300      -3.101900      0.8558000    
 C    1.386000      -1.724400      0.2207000    
 C   0.8223000      -4.254000      0.2057000    
 C    3.471000       1.447500      0.4326000    
 C    2.698800       2.779400      0.3179000    
 C    2.253600     -0.6754000      0.9090000    
 C  -0.6889000      -4.085100      0.3672000    
 C    1.174700      -4.348400      -1.281500    
 C    1.432300       2.790500       1.178200    
 C    2.360900       3.158400      -1.127300    
 C    4.786200       1.410800     -0.3405000    
 C  -0.5969000     -0.4285000     -0.5470000    
 C   -2.650300      0.6699000     -0.9964000    
 C   -4.035800      0.8015000     -0.4355000    
 C   -5.030500     -8.0499999E-02 -0.8430000    
 C   -4.312800       1.804800      0.4866000    
 C   -6.318500      4.2300001E-02 -0.3217000    
 C   -5.600800       1.927300       1.008100    
 C   -6.603500       1.046100      0.6040000    
 H    1.361100      -3.069200       1.924100    
 H    2.686300      -3.341200      0.8092000    
 H    1.661300      -1.749500     -0.8394000    
 H    1.123000      -5.185600      0.7009000    
 H    3.753700       1.299000       1.482500    
 H    3.359400       3.569100      0.7017000    
 H    2.299700      0.3157000     -0.9194000    
 H  -0.9557000      -3.804100       1.390900    
 H   -1.182500      -5.042500      0.1605000    
 H   -1.122400      -3.369000     -0.3355000    
 H   0.7781000      -3.509900      -1.862500    
 H    2.259100      -4.390500      -1.427800    
 H   0.7494000      -5.263600      -1.708500    
 H  -0.5016000      -1.548300       1.174200    
 H   0.9849000       3.790400       1.188200    
 H    1.662300       2.519400       2.213900    
 H   0.6754000       2.095200      0.8015000    
 H    3.262200       3.216700      -1.745500    
 H    1.876800       4.140500      -1.162100    
 H    1.677900       2.437200      -1.587000    
 H    5.675100      0.5299000      -1.833000    
 H   -2.163500       1.652200      -1.039700    
 H   -2.690600      0.2676000      -2.016400    
 H   -4.818900     -0.8674000      -1.561600    
 H   -3.538700       2.495200      0.8098000    
 H   -7.099300     -0.6443000     -0.6358000    
 H   -5.822600       2.708500       1.729200    
 H   -7.606300       1.141300       1.010300    


%chk=000100088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100088

0 1
O 3.112541 -0.901051 1.789098
O 4.225644 0.918974 -2.080520
O -1.874511 -0.206361 -0.271533
O 5.303454 2.609855 -0.915974
O 0.061157 -0.025946 -1.610409
N 2.532156 0.325398 -0.111589
N 0.022337 -1.295976 0.361008
C 1.561696 -3.151505 1.014153
C 1.397887 -1.831002 0.235335
C 0.900951 -4.420710 0.403125
C 3.436338 1.435766 0.181365
C 2.694082 2.761955 0.581325
C 2.433376 -0.767484 0.724581
C -0.647489 -4.417324 0.449715
C 1.407779 -4.714691 -1.030269
C 1.899594 2.552349 1.888467
C 1.785221 3.280630 -0.557787
C 4.418814 1.726501 -0.953805
C -0.537273 -0.479873 -0.586357
C -2.571502 0.719425 -1.231347
C -3.963008 0.954159 -0.700199
C -5.029655 0.099078 -1.075596
C -4.223330 2.031584 0.183654
C -6.332499 0.312978 -0.573790
C -5.524868 2.249086 0.687330
C -6.582608 1.389365 0.309284
H 1.204741 -3.002707 2.053129
H 2.648916 -3.328129 1.107743
H 1.580694 -1.993116 -0.843979
H 1.240353 -5.258627 1.048909
H 4.042078 1.117282 1.053879
H 3.494544 3.506379 0.760992
H 1.943980 0.348930 -0.957885
H -1.021189 -4.207137 1.470739
H -1.043970 -5.405061 0.148954
H -1.075880 -3.663306 -0.234988
H 1.039844 -3.963615 -1.754885
H 2.513090 -4.718940 -1.074609
H 1.051111 -5.702757 -1.375245
H -0.544158 -1.563657 1.167310
H 1.433641 3.501661 2.210212
H 2.550100 2.190852 2.705235
H 1.093712 1.808373 1.746577
H 2.358311 3.486820 -1.480728
H 1.295487 4.223100 -0.252606
H 0.991043 2.550273 -0.802270
H 4.892853 1.171875 -2.775600
H -1.979454 1.649627 -1.296133
H -2.573188 0.236241 -2.224143
H -4.836995 -0.736223 -1.759711
H -3.404148 2.698580 0.478614
H -7.149598 -0.353408 -0.871340
H -5.715108 3.085673 1.368609
H -7.593496 1.558641 0.696752


