%chk=000105022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105022

0 1
 O   -3.344400      -2.773500     -3.0000001E-04
 O    4.753500     -0.6018000     -1.9999999E-04
 O    3.271200      -2.220900      3.0000001E-04
 N    3.568400      -1.004900       0.000000    
 C   0.1698000      0.5922000       0.000000    
 C   -1.200900      0.2329000     -9.9999997E-05
 C    1.164200     -0.4136000       0.000000    
 C   -1.574000      -1.131300       0.000000    
 C   0.5430000       1.956500       0.000000    
 C   -2.195300       1.238700      9.9999997E-05
 C   0.7756000      -1.760000       0.000000    
 C    2.516500     -4.1800000E-02   0.000000    
 C  -0.5750000      -2.114100       0.000000    
 C  -0.4560000       2.939200       0.000000    
 C   -1.806700       2.585200       0.000000    
 C   -2.934900      -1.470700      9.9999997E-05
 C    1.903800       2.295800       0.000000    
 C   -3.547600      0.8669000      9.9999997E-05
 C    2.882300       1.303200       0.000000    
 C   -3.913300     -0.4780000       0.000000    
 H    1.378800      -2.650200     -4.9000001E-03
 H  -0.8067000      -3.175800     -1.6700000E-02
 H  -0.1929000       3.995100       0.000000    
 H   -2.554000       3.376200       0.000000    
 H    2.213700       3.338800       0.000000    
 H   -4.329800       1.623100      9.9999997E-05
 H    3.920000       1.627800     -9.9999997E-05
 H   -4.966700     -0.7459000       0.000000    
 H   -2.682700      -3.335700      0.4313000    


%chk=000105022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105022

0 1
O -3.520857 -2.779726 0.062393
O 4.909883 -0.469580 -0.019022
O 3.515777 -2.259420 0.040998
N 3.716171 -0.977267 0.008646
C 0.176832 0.565367 0.007748
C -1.222969 0.219027 0.017873
C 1.194710 -0.472303 0.015012
C -1.625521 -1.164029 0.034761
C 0.548792 1.963104 -0.009784
C -2.225484 1.256621 0.011093
C 0.749536 -1.849603 0.031227
C 2.568174 -0.045410 0.003123
C -0.598306 -2.169407 0.040123
C -0.473640 2.978434 -0.016050
C -1.815460 2.636489 -0.005941
C -3.023698 -1.475085 0.044954
C 1.928289 2.314703 -0.020954
C -3.602014 0.891542 0.021259
C 2.917329 1.329769 -0.014993
C -3.999317 -0.452814 0.037945
H 1.500882 -2.637184 0.036992
H -0.859398 -3.236553 0.051755
H -0.164648 4.029208 -0.029327
H -2.588269 3.413694 -0.010913
H 2.211288 3.372541 -0.034508
H -4.362246 1.680477 0.016043
H 3.978304 1.588780 -0.024054
H -5.053977 -0.740697 0.046072
H -2.800263 -3.457278 0.067230


