%chk=000099427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099427

0 1
 O    1.036700       1.643300       1.020800    
 O   -4.415700      -1.429100      -1.088500    
 N   8.6400002E-02  0.1334000     -0.4866000    
 C    2.499900      0.5913000     -0.5998000    
 C    2.928600     -0.8940000     -0.4563000    
 C    2.418900      0.9804000      -2.090200    
 C    3.569500       1.488700      5.5300001E-02
 C    3.020900      -1.400600      0.9883000    
 C    1.130900      0.8587000      7.8400001E-02
 C    3.360700      -2.883500       1.031100    
 C   -1.278600      0.1430000     -0.1096000    
 C   -2.176100     -0.6572000     -0.7961000    
 C   -1.685400      0.9520000      0.9380000    
 C   -3.520300     -0.6482000     -0.4240000    
 C   -3.029500      0.9610000       1.310100    
 C   -3.947000      0.1608000      0.6291000    
 H    3.902500      -1.037000     -0.9437000    
 H    2.224300      -1.533400      -1.003900    
 H    1.759100      0.3121000      -2.653400    
 H    3.406300      0.9354000      -2.563600    
 H    2.032000       1.998800      -2.211000    
 H    3.350300       2.549400     -0.1179000    
 H    4.565200       1.286200     -0.3552000    
 H    3.618500       1.351900       1.140700    
 H    3.793600     -0.8536000       1.538000    
 H    2.071900      -1.243800       1.512100    
 H    4.321100      -3.080100      0.5441000    
 H    3.429100      -3.226600       2.068300    
 H    2.591000      -3.477200      0.5276000    
 H   0.3063000     -0.4883000      -1.260200    
 H   -1.847800      -1.289200      -1.617100    
 H   -1.042600       1.599300       1.514800    
 H   -3.363400       1.590600       2.130000    
 H   -4.991500      0.1769000      0.9288000    
 H   -5.297500      -1.298300     -0.6993000    


%chk=000099427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099427

0 1
O 1.074418 1.743506 1.045250
O -4.322214 -1.548193 -1.128071
N 0.107478 0.191895 -0.416398
C 2.547508 0.623685 -0.613373
C 2.918667 -0.891950 -0.472628
C 2.439073 0.982070 -2.126069
C 3.634928 1.514426 0.033514
C 2.987226 -1.435180 0.972665
C 1.189103 0.916169 0.093125
C 3.332622 -2.939350 1.013148
C -1.259565 0.215735 -0.020278
C -2.144260 -0.643186 -0.722438
C -1.752405 1.047874 1.023174
C -3.510785 -0.669668 -0.384515
C -3.125713 0.999585 1.338738
C -4.020025 0.151147 0.650412
H 3.901607 -1.040532 -0.966279
H 2.198513 -1.512080 -1.049813
H 1.733491 0.327479 -2.672586
H 3.428937 0.870791 -2.606324
H 2.109264 2.027332 -2.264114
H 3.421541 2.582069 -0.145848
H 4.623103 1.272440 -0.399609
H 3.676523 1.375939 1.125483
H 3.743581 -0.869370 1.548544
H 2.017696 -1.265770 1.481474
H 4.311604 -3.137498 0.536957
H 3.382383 -3.310307 2.052869
H 2.571570 -3.538666 0.478349
H 0.322910 -0.449459 -1.182796
H -1.791841 -1.294569 -1.530171
H -1.064353 1.704284 1.555796
H -3.507642 1.640066 2.141287
H -5.085306 0.129193 0.911737
H -5.261336 -1.496805 -0.822114


