%chk=000127293.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127293

0 1
 O    4.891500       1.328700      0.4110000    
 O    4.074100     -4.5499999E-02   2.054600    
 O    1.306500      -2.122700      -1.187800    
 O   -1.135100      0.1422000      -1.121400    
 N    1.860200     -0.4053000      0.2787000    
 C    3.180900     -0.1516000     -0.2100000    
 C    3.241200      0.9866000      -1.200900    
 C    4.633500       1.522700     -0.9846000    
 C   -3.785000      0.2721000     -0.1679000    
 C    4.059100      0.3569000      0.9018000    
 C   -5.178200      0.1225000      0.4513000    
 C   -2.755100     -0.6418000      0.4934000    
 C  -0.3010000      -1.434600      0.4683000    
 C    1.026300      -1.376000     -0.2536000    
 C   -6.181700       1.068200     -0.2083000    
 C   -1.377500     -0.5679000     -0.1461000    
 C   -7.560000      0.9455000      0.4213000    
 H    3.627100      -1.063300     -0.6225000    
 H    3.057100      0.6767000      -2.233600    
 H    2.503500       1.759600     -0.9493000    
 H    4.706600       2.586300      -1.228000    
 H    5.386500      0.9713000      -1.557300    
 H   -3.452300       1.314200     -8.3099999E-02
 H   -3.838700      4.8099998E-02  -1.240800    
 H    1.515800      0.1747000       1.038900    
 H   -5.124200      0.3343000       1.526100    
 H   -5.519700     -0.9139000      0.3422000    
 H   -3.091900      -1.682800      0.4321000    
 H   -2.649300     -0.3740000       1.550600    
 H  -0.6428000      -2.475400      0.4499000    
 H  -0.1750000      -1.142100       1.516300    
 H   -6.253400      0.8466000      -1.279500    
 H   -5.835600       2.104000     -0.1136000    
 H   -7.528200       1.194100       1.486900    
 H   -7.949600     -7.2200000E-02  0.3171000    
 H   -8.261700       1.629600     -6.6200003E-02


%chk=000127293-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127293

0 1
O 4.711109 1.757132 -0.131270
O 3.567836 1.374638 1.857792
O 1.770931 -2.507309 -0.064157
O -0.855501 0.819756 0.490320
N 1.678450 -0.193325 0.197872
C 3.065549 0.004134 -0.190217
C 3.321399 0.480689 -1.644142
C 4.689444 1.184275 -1.519812
C -3.691046 0.482575 0.395199
C 3.762363 1.086936 0.668669
C -5.167456 0.072513 0.200072
C -2.739322 -0.728007 0.395029
C -0.311046 -1.550787 0.786796
C 1.132418 -1.457017 0.253669
C -6.130286 1.282287 0.201926
C -1.265003 -0.376796 0.544342
C -7.606393 0.875157 0.006094
H 3.585471 -0.961121 -0.022905
H 3.334719 -0.352303 -2.364343
H 2.536707 1.197860 -1.943945
H 4.833802 2.029884 -2.208245
H 5.537235 0.481124 -1.602444
H -3.577326 1.036337 1.347450
H -3.384638 1.186417 -0.401644
H 1.064475 0.603945 0.429808
H -5.469499 -0.633285 1.002394
H -5.278484 -0.478641 -0.757650
H -2.845034 -1.304277 -0.550744
H -3.008076 -1.449194 1.196011
H -0.742596 -2.490144 0.402172
H -0.234599 -1.678857 1.888245
H -5.829275 1.987094 -0.599538
H -6.019515 1.833392 1.157709
H -7.942401 0.197914 0.813963
H -7.747812 0.345740 -0.955215
H -8.272698 1.757067 0.006739


