%chk=000022551.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022551

0 1
 O    1.900100      0.1558000       2.239900    
 O  -0.7617000      0.9622000     -0.6149000    
 N   8.6499996E-02  -1.760300      0.6456000    
 C    1.414500      -2.336100      0.9544000    
 C  -0.2352000      -1.827300     -0.7980000    
 C    1.605700      -3.753200      0.3854000    
 C  -0.1063000      -3.245100      -1.381100    
 C    1.267600      -3.842500      -1.098500    
 C    2.535100      -1.388800      0.5019000    
 C   -1.606600      -1.232600      -1.142700    
 C  -0.9473000      -2.334600       1.510500    
 C    2.397800     -1.7600000E-02   1.129700    
 C   -1.726500      0.2038000     -0.6795000    
 C    2.889600       1.162000      0.3584000    
 C   -3.076500      0.7059000     -0.2875000    
 C    3.943300      0.9891000     -0.5094000    
 C   -4.183900      0.1654000     -0.9000000    
 C    2.269700       2.376300      0.5450000    
 C   -3.161000       1.689300      0.6714000    
 C    4.402800       2.091200      -1.230300    
 C   -5.445400      0.6343000     -0.5335000    
 C    2.729200       3.478500     -0.1761000    
 C   -4.422600       2.158100       1.037800    
 C    3.795800       3.335800      -1.063700    
 C   -5.564800       1.630500      0.4352000    
 H    1.515600      -2.415500       2.046200    
 H   0.4982000      -1.201000      -1.322900    
 H   0.9649000      -4.454200      0.9353000    
 H    2.636600      -4.090700      0.5464000    
 H  -0.2659000      -3.219100      -2.465900    
 H  -0.8822000      -3.901700     -0.9685000    
 H    2.026500      -3.314300      -1.687400    
 H    1.291500      -4.889000      -1.422900    
 H    2.548100      -1.303700     -0.5886000    
 H    3.506200      -1.792700      0.8138000    
 H   -2.402800      -1.851100     -0.7157000    
 H   -1.742300      -1.230700      -2.231600    
 H  -0.6498000      -2.263400       2.563500    
 H   -1.153300      -3.386800       1.291200    
 H   -1.885500      -1.776200       1.444000    
 H    4.447300      3.7500001E-02 -0.6427000    
 H   -4.118800     -0.5951000      -1.671000    
 H    1.434800       2.499700       1.228000    
 H   -2.280400       2.104300       1.152100    
 H    5.236400       1.981600      -1.918100    
 H   -6.334700      0.2272000      -1.005900    
 H    2.255700       4.447500     -4.7600001E-02
 H   -4.516000       2.933000       1.793000    
 H    4.154000       4.194100      -1.624500    
 H   -6.547000       1.996200      0.7199000    


%chk=000022551-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022551

0 1
O 2.625984 -0.310536 2.596148
O -0.539543 0.451251 -2.116415
N -0.023513 -1.924544 0.411204
C 1.311804 -2.372126 0.934253
C -0.197044 -2.260187 -1.038822
C 1.599107 -3.872640 0.622882
C -0.011602 -3.773048 -1.341642
C 1.392983 -4.221656 -0.869836
C 2.433403 -1.408819 0.449452
C -1.521494 -1.693979 -1.606997
C -1.141423 -2.311113 1.301312
C 2.529751 -0.160678 1.339085
C -1.509494 -0.160753 -1.570908
C 2.579367 1.211996 0.735880
C -2.611952 0.612219 -0.909299
C 2.055324 1.503193 -0.551962
C -3.867022 0.035795 -0.572848
C 3.141562 2.265092 1.511515
C -2.386126 1.988498 -0.626037
C 2.095583 2.823518 -1.052309
C -4.875482 0.820522 0.027690
C 3.199689 3.576236 1.001664
C -3.386951 2.766481 -0.014121
C 2.676873 3.859180 -0.285066
C -4.636675 2.184732 0.312976
H 1.279676 -2.256769 2.034376
H 0.605164 -1.722494 -1.583596
H 0.908520 -4.492994 1.229998
H 2.625455 -4.129990 0.948276
H -0.127177 -3.952095 -2.428891
H -0.793760 -4.369746 -0.829127
H 2.162413 -3.714667 -1.488146
H 1.526751 -5.308826 -1.027899
H 2.327541 -1.148663 -0.614464
H 3.409273 -1.924989 0.557856
H -2.392360 -2.130857 -1.093424
H -1.577517 -1.999038 -2.670433
H -0.880683 -2.017084 2.332713
H -1.386212 -3.401065 1.309352
H -2.058696 -1.758296 1.033382
H 1.565937 0.730466 -1.151486
H -4.073727 -1.015778 -0.798413
H 3.521625 2.025763 2.510402
H -1.413299 2.416459 -0.889250
H 1.669967 3.036915 -2.038697
H -5.843660 0.370764 0.273266
H 3.646578 4.377930 1.600208
H -3.198694 3.821749 0.211352
H 2.718073 4.880223 -0.681896
H -5.417295 2.790448 0.786842


