%chk=000050179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050179

0 1
 O    3.980500      -2.116800     -0.1109000    
 O   -1.831400      0.6208000       1.657100    
 O   -4.183000       1.761300      0.7514000    
 N   0.3546000      -1.297900     -0.1928000    
 C    1.581200      -1.944800      0.2896000    
 C    2.787100      -1.459400     -0.5460000    
 C  -0.8005000      -1.785800      0.5405000    
 C    1.730400      -1.623500       1.777900    
 C    3.043300      2.8500000E-02 -0.4366000    
 C   -2.077900      -1.146200      6.5099999E-02
 C    2.426000      0.8872000      -1.329200    
 C    3.888600      0.4973000      0.5538000    
 C   -2.532100      2.9600000E-02  0.6478000    
 C   -2.787400      -1.753200     -0.9629000    
 C    2.661800       2.258300      -1.228500    
 C    4.124300       1.868400      0.6545000    
 C   -3.717500      0.6086000      0.1946000    
 C   -3.972600      -1.174300      -1.415900    
 C    3.510800       2.748800     -0.2366000    
 C   -4.437800      6.6999998E-03 -0.8372000    
 C   -3.748400       2.986400      0.1644000    
 H    1.512100      -3.034900      0.1764000    
 H    2.652800      -1.729600      -1.601300    
 H   0.2410000      -1.497300      -1.186800    
 H  -0.7417000      -1.642400       1.623400    
 H  -0.8892000      -2.873400      0.4077000    
 H    2.742100      -1.855300       2.129200    
 H    1.534300     -0.5701000       2.008500    
 H    1.069200      -2.238500       2.397800    
 H    1.767200      0.5164000      -2.108900    
 H    4.374500     -0.1607000       1.267700    
 H    3.833700      -3.074200     -0.1962000    
 H   -2.434500      -2.671700      -1.423500    
 H    2.184900       2.943900      -1.922900    
 H    4.783700       2.251000       1.428100    
 H   -4.533200      -1.642400      -2.219700    
 H    3.694100       3.816400     -0.1579000    
 H   -5.362300      0.4517000      -1.194900    
 H  -0.8960000      0.3658000       1.608700    
 H   -4.079600       3.050900     -0.8769000    
 H   -2.658600       3.075000      0.2184000    
 H   -4.194500       3.812300      0.7252000    


%chk=000050179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050179

0 1
O 3.900317 -1.887677 -0.538564
O -1.236129 0.730028 0.385525
O -3.831107 2.001742 -0.192082
N 0.196631 -1.364470 -0.172370
C 1.547979 -1.857537 0.230090
C 2.638352 -1.140836 -0.645705
C -0.973797 -2.103952 0.417024
C 1.799394 -1.685769 1.737414
C 2.928873 0.301905 -0.248930
C -2.279686 -1.448136 -0.007062
C 2.051966 1.341553 -0.646970
C 4.066668 0.621694 0.532291
C -2.359874 -0.021654 0.030029
C -3.417495 -2.218260 -0.335486
C 2.297411 2.676721 -0.255777
C 4.316206 1.957967 0.916495
C -3.601781 0.617759 -0.264803
C -4.649277 -1.582607 -0.608472
C 3.430501 2.990050 0.529255
C -4.733250 -0.174355 -0.571448
C -2.787295 2.927932 -0.674322
H 1.626599 -2.948272 -0.016717
H 2.277314 -1.163026 -1.701453
H 0.108465 -1.371702 -1.202940
H -0.868182 -2.040145 1.516547
H -0.964488 -3.180082 0.141481
H 2.859992 -1.900383 1.956167
H 1.581269 -0.652479 2.056368
H 1.186194 -2.379964 2.337863
H 1.174341 1.119770 -1.265443
H 4.758413 -0.178078 0.810303
H 3.746874 -2.825059 -0.819686
H -3.341243 -3.312142 -0.359202
H 1.606148 3.467954 -0.566124
H 5.203336 2.193695 1.515318
H -5.536003 -2.175441 -0.855089
H 3.623569 4.025987 0.829818
H -5.671880 0.347621 -0.782848
H -0.413039 0.087606 0.275702
H -2.570266 2.741095 -1.744713
H -1.862980 2.824454 -0.085211
H -3.229041 3.929391 -0.554072


