%chk=000169952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169952

0 1
 O   -1.413100      0.3677000     -0.9863000    
 O   -3.541600      -2.821000      0.4068000    
 O   -1.748400      -2.047500     -0.5958000    
 N   -2.855600      -1.869200     -3.5399999E-02
 C    3.455000     -1.4300000E-02 -0.3979000    
 C    4.733700      0.5461000      0.2315000    
 C    2.202200      0.7943000     -5.3399999E-02
 C    5.974600     -0.3033000     -5.1800001E-02
 C   0.9552000      0.1789000     -0.6867000    
 C    7.205600      0.2615000      0.6588000    
 C  -0.2913000      0.9987000     -0.3845000    
 C    8.434600     -0.5991000      0.4127000    
 C   -2.625800      0.5453000     -0.3722000    
 C   -3.350400     -0.5431000      0.1029000    
 C   -3.119900       1.838500     -0.2319000    
 C   -4.581800     -0.3364000      0.7247000    
 C   -4.351100       2.045200      0.3900000    
 C   -5.082000      0.9577000      0.8683000    
 H    3.316600      -1.049600     -6.1900001E-02
 H    3.578400     -4.9300000E-02  -1.487400    
 H    4.590100      0.6210000       1.316700    
 H    4.898900       1.566300     -0.1366000    
 H    2.326500       1.825400     -0.4057000    
 H    2.080000      0.8364000       1.035500    
 H    5.797100      -1.332000      0.2846000    
 H    6.153900     -0.3427000      -1.132900    
 H    1.080100      9.7300000E-02  -1.773700    
 H   0.8169000     -0.8464000     -0.3223000    
 H    7.402400       1.281300      0.3079000    
 H    7.020000      0.3195000       1.737700    
 H  -0.4232000       1.076500      0.7025000    
 H  -0.1874000       2.008300     -0.7979000    
 H    8.667100     -0.6541000     -0.6555000    
 H    8.281500      -1.617300      0.7843000    
 H    9.302700     -0.1764000      0.9281000    
 H   -2.566300       2.694400     -0.6076000    
 H   -5.181000      -1.157400       1.110200    
 H   -4.741900       3.052500      0.5000000    
 H   -6.041000       1.119300       1.352000    


%chk=000169952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169952

0 1
O -1.403591 -0.222059 -0.017417
O -4.607484 -2.543454 -1.124972
O -2.629351 -2.618366 0.005375
N -3.654759 -1.982356 -0.444877
C 3.586113 -0.197735 -0.039875
C 4.885599 0.594605 0.226227
C 2.307196 0.631691 0.213830
C 6.167627 -0.225845 -0.040122
C 1.013251 -0.177678 -0.033820
C 7.466984 0.566396 0.231039
C -0.237199 0.673592 0.184991
C 8.743945 -0.258444 -0.038648
C -2.675362 0.310588 0.093307
C -3.800672 -0.539793 -0.150282
C -2.931492 1.676742 0.396245
C -5.118698 -0.030415 -0.115521
C -4.249466 2.170115 0.451440
C -5.351592 1.321828 0.192493
H 3.569365 -1.102602 0.602271
H 3.584892 -0.560837 -1.088507
H 4.890275 0.949037 1.278518
H 4.896650 1.505732 -0.408523
H 2.321010 1.528581 -0.440983
H 2.318348 1.006477 1.258894
H 6.158374 -1.138943 0.591349
H 6.167319 -0.577347 -1.093230
H 1.003233 -0.574216 -1.066626
H 0.972987 -1.050294 0.644712
H 7.475111 1.479071 -0.399635
H 7.466879 0.916556 1.283670
H -0.268460 1.082691 1.215754
H -0.286977 1.512370 -0.539880
H 8.781844 -0.597434 -1.091237
H 8.777743 -1.158676 0.603784
H 9.657601 0.331845 0.159157
H -2.097548 2.356973 0.586378
H -5.939511 -0.719330 -0.332609
H -4.414895 3.225572 0.693434
H -6.373991 1.708365 0.231695


