%chk=000135785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135785

0 1
 O   0.9810000       2.294800     -0.3837000    
 O   0.9104000      -2.371300     -0.3413000    
 O    5.459000      0.1292000       1.453600    
 O    5.278400     -9.2200004E-02 -0.7988000    
 N   0.9984000     -4.0899999E-02 -0.4333000    
 C   -1.770800      7.0000002E-03 -5.9000002E-03
 C   -1.078400       1.221200     -0.1132000    
 C   -1.117800      -1.230600     -8.8799998E-02
 C   -3.173900      3.1300001E-02  0.1953000    
 C    2.430800     -6.6799998E-02 -0.7097000    
 C   0.3865000       1.220800     -0.3235000    
 C   0.3457000      -1.280200     -0.2992000    
 C   -1.758100       2.442700     -2.3700001E-02
 C   -1.835600      -2.427800      2.4800001E-02
 C    3.261000      9.7000003E-03  0.5649000    
 C   -3.840100       1.263000      0.2818000    
 C   -3.878800      -1.176600      0.3061000    
 C   -3.135700       2.459900      0.1730000    
 C   -3.213000      -2.397300      0.2213000    
 C    4.751100      4.1000000E-03  0.3004000    
 H    2.683100     -0.9785000      -1.264500    
 H    2.683400      0.7755000      -1.365700    
 H   -1.232900       3.390500     -0.1057000    
 H   -1.340400      -3.393100     -3.8400002E-02
 H    3.029100     -0.8447000       1.211100    
 H    3.019400      0.9283000       1.111800    
 H   -4.916500       1.301300      0.4358000    
 H   -4.955900      -1.177600      0.4606000    
 H   -3.662500       3.407300      0.2419000    
 H   -3.769700      -3.325900      0.3089000    
 H    6.426300      0.1299000       1.290200    


%chk=000135785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135785

0 1
O 1.054276 2.323274 -0.457425
O 1.025085 -2.343076 -0.367165
O 5.480406 0.004717 1.516739
O 5.328958 -0.043942 -0.800413
N 1.006395 -0.010932 -0.473930
C -1.805743 0.015719 -0.009225
C -1.098204 1.253519 -0.138228
C -1.113847 -1.235002 -0.089071
C -3.232742 0.029027 0.209574
C 2.468137 -0.024989 -0.742195
C 0.371954 1.259680 -0.363559
C 0.356167 -1.268221 -0.313827
C -1.787544 2.473058 -0.052220
C -1.818440 -2.441418 0.045192
C 3.269500 -0.005011 0.574536
C -3.906914 1.291264 0.289289
C -3.922670 -1.220482 0.339320
C -3.195802 2.490535 0.160594
C -3.226721 -2.432752 0.258570
C 4.760464 -0.017568 0.312953
H 2.697392 -0.936944 -1.313499
H 2.708157 0.862146 -1.347154
H -1.217188 3.402102 -0.153769
H -1.259805 -3.380844 -0.019456
H 3.018707 -0.881947 1.199301
H 3.028270 0.896759 1.166898
H -4.990710 1.305126 0.453715
H -5.006498 -1.214227 0.503987
H -3.720111 3.449333 0.223140
H -3.762889 -3.381689 0.359279
H 6.455459 -0.004216 1.314149


