%chk=000018665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018665

0 1
 O    3.539400     -0.2464000      4.4700000E-02
 O   -2.943400      0.1046000      -2.004600    
 O    3.233300      -2.516200     -0.1858000    
 N    7.074900      0.7676000      3.3100002E-02
 N   -2.753500     -0.1527000      0.3293000    
 N   -4.643500      0.3220000       1.694300    
 C    5.640700      0.9326000      7.8000002E-02
 C    7.494300      0.1188000      -1.216100    
 C    7.760700       2.058600      0.1762000    
 C   -1.357000     -0.4784000      0.2335000    
 C    4.958100     -0.4199000     -3.7099998E-02
 C  -0.9491000      -1.797500      7.3100001E-02
 C   -3.414100     -7.0100002E-02   1.557500    
 C   -3.430600      0.1275000     -0.8766000    
 C    1.354100      -1.068100      5.2000001E-02
 C   -4.840700      0.5459000     -0.7314000    
 C  -0.4231000      0.5491000      0.3038000    
 C   0.4111000      -2.093400     -1.7800000E-02
 C    8.993200     -0.1283000      -1.230200    
 C    7.350100       2.759200       1.460200    
 C   -5.379400      0.6490000      0.5511000    
 C   0.9369000      0.2532000      0.2128000    
 C    2.772300      -1.375900     -4.2700000E-02
 C   -1.937100      -2.915800     -4.8000002E-03
 C   -2.716200     -0.5073000       2.829200    
 C   -5.611900      0.8575000      -1.857500    
 C   -6.706700       1.069100      0.6967000    
 C   -6.932800       1.274100      -1.698500    
 C   -7.480100       1.381100     -0.4222000    
 H    5.272000       1.602100     -0.7108000    
 H    5.300700       1.361400       1.027100    
 H    7.061500     -0.8800000      -1.312900    
 H    7.199900      0.6988000      -2.099600    
 H    8.843200       1.913900      0.2518000    
 H    7.570300       2.718400     -0.6797000    
 H    5.283300      -1.089300      0.7686000    
 H    5.137400     -0.8959000      -1.004400    
 H  -0.7384000       1.581500      0.4292000    
 H   0.7326000      -3.124700     -0.1433000    
 H    9.566900      0.7866000      -1.407500    
 H    9.338100     -0.5910000     -0.2990000    
 H    9.244700     -0.8145000      -2.047100    
 H    6.346500       3.191400       1.398800    
 H    7.398500       2.087400       2.324200    
 H    8.034800       3.592000       1.657400    
 H    1.634800       1.083600      0.2724000    
 H   -1.442600      -3.888000     -0.1083000    
 H   -2.551200      -2.964300      0.8988000    
 H   -2.587900      -2.791200     -0.8764000    
 H   -1.797100      6.8300001E-02   2.968200    
 H   -2.464200      -1.568600       2.773400    
 H   -3.361200     -0.3466000       3.698100    
 H   -5.203000      0.7845000      -2.861400    
 H   -7.148600       1.152500       1.686900    
 H   -7.534300       1.516800      -2.569600    
 H   -8.509000       1.705500     -0.2974000    


%chk=000018665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018665

0 1
O 3.571305 -0.054067 0.142244
O -3.019771 -0.291914 -2.024130
O 3.226347 -2.357858 0.052537
N 7.182120 0.887027 -0.203770
N -2.877489 -0.033739 0.308659
N -4.789490 0.509843 1.672685
C 5.711302 1.062858 -0.130797
C 7.654586 0.520908 -1.567814
C 7.948999 2.005094 0.406390
C -1.451509 -0.332428 0.239892
C 5.045180 -0.294709 0.124457
C -1.017025 -1.681142 0.120183
C -3.502888 0.217581 1.555261
C -3.604940 -0.024027 -0.935332
C 1.309162 -0.850015 0.147078
C -5.030864 0.318181 -0.793519
C -0.533371 0.738554 0.290413
C 0.375936 -1.914578 0.082961
C 8.960423 -0.296434 -1.552312
C 7.895185 1.999325 1.945944
C -5.574119 0.575733 0.505648
C 0.850732 0.487566 0.244524
C 2.762658 -1.191531 0.108233
C -2.006216 -2.822532 0.010037
C -2.656184 0.131784 2.802518
C -5.860904 0.387655 -1.943087
C -6.953152 0.902360 0.628603
C -7.220233 0.713096 -1.806971
C -7.764405 0.970421 -0.516033
H 5.286561 1.518169 -1.056079
H 5.461771 1.742186 0.703066
H 6.864940 -0.087809 -2.046955
H 7.782191 1.429530 -2.208917
H 9.002911 1.896426 0.092390
H 7.604577 2.997516 0.018506
H 5.352519 -0.712244 1.098717
H 5.276961 -1.035674 -0.660932
H -0.912414 1.764219 0.350363
H 0.761834 -2.936328 -0.001553
H 9.796328 0.269406 -1.102621
H 8.821858 -1.220905 -0.965537
H 9.257445 -0.569259 -2.582199
H 6.863211 2.119333 2.323426
H 8.291430 1.045785 2.336025
H 8.498741 2.830247 2.356592
H 1.574083 1.305824 0.279171
H -1.497075 -3.797108 0.087722
H -2.784650 -2.775365 0.793730
H -2.524790 -2.781577 -0.965929
H -1.874766 0.912074 2.822769
H -2.138990 -0.841678 2.879139
H -3.319082 0.265070 3.669065
H -5.410821 0.183059 -2.920010
H -7.349330 1.094208 1.630200
H -7.863464 0.769282 -2.691400
H -8.825752 1.223100 -0.415553


