%chk=000155704.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155704

0 1
 O    4.245300       3.197200     -0.7885000    
 O    4.217100      -3.318900     -4.1600000E-02
 O   -3.692000     -0.1483000      -2.176900    
 O   -4.659600      -1.507100     -0.6396000    
 N    2.622000     -9.4999997E-03 -2.7200000E-02
 N   -5.076400       1.126600      0.5782000    
 C    1.248000      3.2600001E-02  0.2880000    
 C   -1.450300      0.1160000      0.9076000    
 C    3.461800       1.150800      0.1951000    
 C    3.209400      -1.208800     -0.5904000    
 C   -2.922700      0.1617000       1.245600    
 C   -3.789100      0.6525000      7.5300001E-02
 C   0.6923000       1.191600      0.8298000    
 C   0.4447000      -1.084400      5.8200002E-02
 C  -0.6666000       1.233600       1.141700    
 C  -0.9142000      -1.042400      0.3702000    
 C    3.446800       2.046000      -1.032200    
 C    3.675600      -2.131400      0.5229000    
 C   -4.092300     -0.4578000     -0.9162000    
 H   -3.045400      0.8248000       2.113700    
 H   -3.249100     -0.8286000       1.591600    
 H    3.239000       1.698800       1.117300    
 H    4.498300      0.8226000      0.3579000    
 H    4.089500     -0.9363000      -1.190100    
 H    2.573100      -1.720900      -1.320800    
 H   -3.301400       1.481800     -0.4501000    
 H    1.255300       2.098900       1.016700    
 H   0.8160000      -2.020100     -0.3440000    
 H   -1.092400       2.142300       1.557400    
 H   -1.531000      -1.918400      0.1918000    
 H    3.840500       1.530300      -1.914500    
 H    2.435500       2.388200      -1.271800    
 H    4.444500      -1.659300       1.143800    
 H    2.851100      -2.422500       1.180700    
 H   -5.522200      0.3955000       1.132200    
 H   -4.926600       1.906300       1.217900    
 H    5.150700       2.892700     -0.6068000    
 H    4.969700      -3.060900     -0.6007000    
 H   -3.903600     -0.8640000      -2.813400    


%chk=000155704-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155704

0 1
O 4.226449 3.305264 -0.923586
O 4.165902 -3.532028 -0.049729
O -3.132869 0.333684 -2.044803
O -4.249004 -1.395280 -0.973132
N 2.635292 -0.044817 -0.057305
N -5.350264 0.823571 0.563035
C 1.271465 0.018995 0.303211
C -1.523204 0.148891 1.043937
C 3.513362 1.127641 0.073187
C 3.224435 -1.282022 -0.590996
C -2.999231 0.227926 1.390943
C -3.921625 0.739847 0.217776
C 0.678891 1.235150 0.766410
C 0.425670 -1.131149 0.227107
C -0.680743 1.285673 1.127897
C -0.934069 -1.056103 0.585265
C 3.419363 2.095302 -1.135681
C 3.680221 -2.266503 0.517825
C -3.807257 -0.222875 -0.961404
H -3.163534 0.924205 2.236795
H -3.384103 -0.763559 1.698047
H 3.285882 1.690813 0.997193
H 4.559438 0.776146 0.176020
H 4.097663 -1.014887 -1.219354
H 2.512521 -1.803099 -1.257509
H -3.568442 1.731507 -0.111323
H 1.272024 2.150944 0.844792
H 0.823615 -2.096599 -0.098669
H -1.093798 2.238603 1.484015
H -1.548636 -1.962782 0.515462
H 3.708922 1.569077 -2.070319
H 2.387838 2.462763 -1.252577
H 4.446206 -1.786474 1.163693
H 2.825802 -2.552311 1.151288
H -5.786213 -0.089695 0.726913
H -5.573323 1.517176 1.281325
H 5.187832 3.067370 -0.932270
H 5.014835 -3.373262 -0.534517
H -3.056012 -0.345904 -2.770162


