%chk=000101111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101111

0 1
 O   -3.107700      -2.291700       1.191400    
 O   -5.092300      -1.212600       1.285100    
 O   -1.126600       1.431400       1.528500    
 O    1.704400      -3.548900     -0.7448000    
 O    3.472900       3.079500      0.7734000    
 O    3.799100      -2.909900     -0.8968000    
 O    5.015500       1.647900      0.1489000    
 N   -1.810200     -0.2564000      9.2000000E-02
 N    2.593700      -2.669200     -0.6450000    
 N    3.821000       1.930300      0.4093000    
 C   -3.318100       1.560500      -1.816700    
 C   -3.916100      0.3625000      -1.044400    
 C   -3.226800     -6.0899999E-02  0.2614000    
 C   -3.325400       2.798500     -0.9119000    
 C   -1.901700       1.317300      -2.332700    
 C   -3.915200      -1.233400      0.9419000    
 C  -0.8642000      0.5183000      0.7501000    
 C   0.5571000      0.2082000      0.4479000    
 C    1.498300       1.208600      0.5736000    
 C   0.8900000      -1.070100      5.0200000E-02
 C    2.224200      -1.361000     -0.2347000    
 C    2.832500      0.9178000      0.2888000    
 C    3.195600     -0.3669000     -0.1153000    
 H   -3.970100       1.750700      -2.678600    
 H   -4.972000      0.5777000     -0.8304000    
 H   -3.930400     -0.5017000      -1.723300    
 H   -3.356400      0.7563000      0.9824000    
 H   -4.326600       2.979200     -0.5065000    
 H   -2.628100       2.721000     -7.5999998E-02
 H   -3.040700       3.685400      -1.489200    
 H   -1.124300       1.556600      -1.607000    
 H   -1.770500      0.2920000      -2.692300    
 H   -1.714800       1.979400      -3.187200    
 H   -1.532200     -0.9757000     -0.5660000    
 H    1.194900       2.205100      0.8829000    
 H   0.1457000      -1.857700     -3.4000000E-03
 H    4.235800     -0.5936000     -0.3374000    
 H   -3.583200      -3.015400       1.652500    


%chk=000101111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101111

0 1
O -3.004402 -2.387711 0.614353
O -4.851557 -1.207711 1.394188
O -0.948121 1.746838 0.901847
O 1.866342 -3.896247 0.139072
O 3.793905 2.994680 0.237937
O 4.077326 -3.338147 0.042612
O 5.391010 1.366517 0.144891
N -1.661297 -0.247271 -0.070727
N 2.828095 -3.036738 0.112403
N 4.166286 1.763220 0.196790
C -3.718707 1.752911 -1.759625
C -3.902884 0.328439 -1.160084
C -3.094686 -0.000729 0.139686
C -4.047008 2.866711 -0.736116
C -2.336308 1.991734 -2.413859
C -3.754664 -1.212622 0.804639
C -0.688957 0.605663 0.403452
C 0.740958 0.125047 0.284248
C 1.754092 1.113405 0.286420
C 1.097516 -1.242033 0.228300
C 2.462348 -1.591839 0.162009
C 3.101150 0.716413 0.208594
C 3.491962 -0.634713 0.144720
H -4.476965 1.808253 -2.570370
H -4.972742 0.204473 -0.901453
H -3.661740 -0.435082 -1.927293
H -3.179350 0.849995 0.838445
H -5.023555 2.694553 -0.245256
H -3.267511 2.934682 0.045152
H -4.091308 3.849716 -1.239658
H -1.542953 2.088144 -1.653362
H -2.065362 1.172576 -3.106423
H -2.349287 2.932827 -2.994205
H -1.410596 -1.150908 -0.475702
H 1.481821 2.170126 0.362299
H 0.359604 -2.049636 0.271123
H 4.544267 -0.924580 0.091648
H -3.479621 -3.161854 1.020003


