%chk=000227387.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227387

0 1
 O   0.9862000      -3.006700       1.781800    
 O    1.353300     -0.9031000      -2.368400    
 O  -0.3457000      -3.388400     -9.2000002E-03
 O    2.753600      -2.399700      -1.419100    
 O  -0.8318000     -0.3501000       1.903900    
 O   -4.371100      -1.291600      -1.142700    
 O   -2.999400      -1.827900      0.5885000    
 N  -2.6699999E-02 -0.4502000     -0.2679000    
 C    1.046600      -1.386100     -4.3000001E-03
 C    2.089100     -0.7798000      0.9708000    
 C    2.734400      0.5167000      0.5341000    
 C   0.4699000      -2.681400      0.5711000    
 C    1.787100      -1.650800      -1.322100    
 C  -0.8838000     -8.6000003E-03  0.7252000    
 C    3.899600      0.4742000     -0.2124000    
 C    2.146100       1.718500      0.8895000    
 C   -1.949400      0.9296000      0.2878000    
 C    4.494800       1.669600     -0.6154000    
 C    2.741300       2.913900      0.4862000    
 C   -3.172900      0.4471000     -0.1313000    
 C   -1.666300       2.281500      0.3193000    
 C    3.915600       2.889400     -0.2662000    
 C   -4.154100       1.352500     -0.5354000    
 C   -2.647600       3.186600     -8.5100003E-02
 C   -3.891400       2.722100     -0.5124000    
 C   -3.477700     -0.9773000     -0.1664000    
 H    2.896800      -1.505400       1.151200    
 H    1.653600     -0.6143000       1.965700    
 H  -0.1463000     -9.1799997E-02  -1.211700    
 H    4.371100     -0.4662000     -0.4799000    
 H    1.251700       1.750900       1.501400    
 H    5.411100       1.650700      -1.198200    
 H    2.294100       3.863800      0.7644000    
 H  -0.7061000       2.658400      0.6522000    
 H    4.380100       3.820300     -0.5779000    
 H   0.6185000      -3.850000       2.122300    
 H    1.883700      -1.064100      -3.177700    
 H   -5.137900       1.024200     -0.8608000    
 H   -2.443700       4.253200     -6.5600000E-02
 H   -4.656200       3.427500     -0.8241000    
 H   -4.571300      -2.251800      -1.159200    


%chk=000227387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227387

0 1
O 0.316014 -2.891039 1.513453
O 1.308690 -0.938703 -2.569982
O 0.102076 -3.490943 -0.719862
O 2.979444 -2.202755 -1.574662
O -0.569007 0.125819 1.835443
O -4.848437 -1.338154 0.287593
O -2.602004 -1.867469 0.498222
N 0.056687 -0.357988 -0.383412
C 1.161375 -1.312958 -0.153497
C 2.176567 -0.876051 0.955788
C 2.854806 0.460801 0.682295
C 0.488470 -2.692035 0.158178
C 1.929068 -1.543850 -1.476770
C -0.767015 0.184090 0.587210
C 4.062149 0.527795 -0.062693
C 2.306789 1.664839 1.197919
C -1.937390 0.971719 0.016435
C 4.696388 1.768117 -0.300897
C 2.941459 2.905285 0.962365
C -3.253837 0.428106 -0.061455
C -1.723717 2.322116 -0.344718
C 4.136234 2.962752 0.207500
C -4.331312 1.249762 -0.484108
C -2.799559 3.130183 -0.776334
C -4.106949 2.594577 -0.840667
C -3.485113 -1.005809 0.268747
H 2.928346 -1.682808 1.018806
H 1.615944 -0.845671 1.902118
H -0.213223 -0.240092 -1.364772
H 4.512114 -0.396247 -0.444782
H 1.394103 1.617391 1.803123
H 5.631330 1.800679 -0.872075
H 2.512138 3.823976 1.378917
H -0.713129 2.739951 -0.277402
H 4.631991 3.923940 0.029617
H -0.272742 -3.679558 1.664272
H 1.813478 -1.140027 -3.402383
H -5.333773 0.816807 -0.532354
H -2.617970 4.173815 -1.055055
H -4.943367 3.220633 -1.168181
H -4.938218 -2.305596 0.500057


