%chk=000226282.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226282

0 1
 O   0.9083000       1.099200       1.671600    
 O  -0.9181000      -1.087200       1.667000    
 O   -1.434500       2.340800       1.443200    
 O    1.424300      -2.324100       1.456300    
 N   -1.899500       1.375500     -0.6173000    
 N    1.896600      -1.372800     -0.6090000    
 C   -4.331300       1.259000     -0.2997000    
 C    4.328900      -1.269000     -0.2916000    
 C   -4.430400     -0.1214000     -0.9490000    
 C    4.436300      0.1074000     -0.9480000    
 C   -3.154100       2.050700     -0.8564000    
 C    3.147200      -2.056500     -0.8445000    
 C   0.1490000      0.7650000      0.5192000    
 C  -0.1467000     -0.7398000      0.5256000    
 C   -5.633600     -0.9006000     -0.4184000    
 C    5.643900      0.8823000     -0.4211000    
 C   -1.139200       1.580500      0.5238000    
 C    1.134300      -1.566900      0.5326000    
 C   -5.716400      -2.287000      -1.037300    
 C    5.735000       2.264900      -1.047000    
 H   -4.224500       1.146500      0.7862000    
 H   -5.255600       1.820500     -0.4790000    
 H    5.250000      -1.836900     -0.4679000    
 H    4.222600      -1.150300      0.7937000    
 H   -4.515600     -1.3000000E-02  -2.037100    
 H   -3.520000     -0.6998000     -0.7522000    
 H    4.521300     -7.1999999E-03  -2.035600    
 H    3.529200      0.6921000     -0.7545000    
 H   -3.122100       3.043100     -0.3941000    
 H   -3.253400       2.184000      -1.938800    
 H    3.109200      -3.046300     -0.3770000    
 H    3.245800      -2.196000      -1.926200    
 H   0.7352000       1.060700     -0.3570000    
 H  -0.7264000      -1.036400     -0.3551000    
 H   -5.563000     -0.9984000      0.6712000    
 H   -6.557700     -0.3526000     -0.6361000    
 H    5.573500      0.9861000      0.6680000    
 H    6.564800      0.3277000     -0.6357000    
 H   -1.556500      0.7519000      -1.341600    
 H    1.558700     -0.7488000      -1.335400    
 H   -5.817700      -2.225200      -2.125500    
 H   -4.820900      -2.873400     -0.8078000    
 H   -6.584700      -2.825700     -0.6453000    
 H    5.836100       2.197000      -2.134900    
 H    4.842900       2.857700     -0.8209000    
 H    6.606300       2.800600     -0.6576000    
 H   0.3694000      0.9148000       2.458800    
 H  -0.3902000     -0.9011000       2.461400    


%chk=000226282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226282

0 1
O 1.665002 0.866220 -3.557573
O -1.604761 -0.940671 -3.567398
O 0.503386 2.333420 -1.741910
O -0.473942 -2.368989 -1.701625
N -1.629029 1.386523 -2.010759
N 1.663016 -1.428064 -1.955856
C -2.002524 1.399286 0.485374
C 1.994006 -1.387791 0.545922
C -2.526926 -0.051354 0.566335
C 2.513524 0.065666 0.605266
C -2.264115 2.087722 -0.876321
C 2.279571 -2.104249 -0.796305
C 0.207774 0.719290 -3.537909
C -0.148003 -0.792803 -3.526042
C -2.259621 -0.712685 1.938090
C 2.219518 0.755164 1.957479
C -0.318259 1.541668 -2.328965
C 0.357460 -1.589877 -2.291807
C -2.708856 -2.189024 1.981273
C 2.663996 2.233492 1.977687
H -0.913098 1.417861 0.684950
H -2.479907 2.015638 1.274384
H 2.459632 -1.986321 1.355450
H 0.901479 -1.405291 0.727980
H -3.618785 -0.065872 0.360895
H -2.046606 -0.668867 -0.219001
H 3.608941 0.078729 0.419670
H 2.046287 0.664978 -0.201766
H -1.868487 3.118725 -0.852707
H -3.349842 2.135761 -1.080341
H 1.884596 -3.135043 -0.757547
H 3.368607 -2.155105 -0.981032
H -0.224060 1.147514 -4.464856
H 0.299540 -1.239359 -4.436728
H -1.174231 -0.651514 2.162060
H -2.774061 -0.136615 2.734455
H 1.130385 0.695572 2.162877
H 2.720780 0.197573 2.775102
H -2.122043 0.637621 -2.525537
H 2.164202 -0.689891 -2.478295
H -3.794513 -2.279257 1.786333
H -2.178896 -2.779821 1.210763
H -2.503760 -2.647404 2.966221
H 3.752896 2.322863 1.801320
H 2.147018 2.806202 1.185004
H 2.439227 2.711991 2.948680
H 1.834425 1.657391 -2.951297
H -1.784242 -1.719402 -2.947993


