%chk=000099934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099934

0 1
 O  -0.7772000      -1.004500     -0.2540000    
 O  -0.9655000      -1.112100       2.067200    
 O    2.940000      -3.851400      0.1372000    
 O   -6.240000       2.085100     -0.3117000    
 O   -6.963700      2.0199999E-02 -0.4883000    
 N    1.788100       2.702800      0.9198000    
 N    1.601500      -2.000600     -0.3155000    
 N   -6.028500      0.8505000     -0.3857000    
 C    2.048600     -0.8283000       1.812200    
 C    2.163300      0.5450000       1.280400    
 C    1.113100      -1.775900       1.021900    
 C    3.109500       1.007100      0.3232000    
 C    2.852200       2.363900      0.1148000    
 C    1.365000       1.610300       1.628100    
 C    4.163100      0.3996000     -0.3881000    
 C  -0.3255000      -1.271900       1.032500    
 C    3.599000       3.146500     -0.7729000    
 C    4.918700       1.170100      -1.279500    
 C    4.639200       2.522200      -1.467300    
 C    2.477100      -3.024100     -0.6438000    
 C   -2.093900     -0.5395000     -0.2871000    
 C    2.805900      -3.047700      -2.112600    
 C   -2.318500      0.8171000     -0.2065000    
 C   -3.117000      -1.455000     -0.3994000    
 C   -3.633300       1.282000     -0.2396000    
 C   -4.431600     -0.9901000     -0.4326000    
 C   -4.689700      0.3785000     -0.3527000    
 H    1.693500     -0.7747000       2.850500    
 H    3.047600      -1.280600       1.867900    
 H    1.095100      -2.749300       1.528500    
 H   0.5335000       1.691100       2.314300    
 H    1.378600       3.624900      0.9784000    
 H    1.289300      -1.368100      -1.046900    
 H    4.400700     -0.6511000     -0.2508000    
 H    3.382200       4.199300     -0.9199000    
 H    5.733400      0.7070000      -1.829800    
 H    5.239000       3.101900      -2.164400    
 H    2.990000      -2.034900      -2.482300    
 H    1.971200      -3.489500      -2.663300    
 H    3.705900      -3.646400      -2.277300    
 H   -1.496000       1.520200     -0.1202000    
 H   -2.915400      -2.519700     -0.4623000    
 H   -3.796400       2.354800     -0.1752000    
 H   -5.229300      -1.723200     -0.5215000    


%chk=000099934-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099934

0 1
O -0.541321 -1.065691 -0.038314
O -0.802697 -1.719036 2.208749
O 2.865713 -4.252736 0.088610
O -5.591008 2.398476 -1.775424
O -6.641881 0.833192 -0.489857
N 1.388238 2.514346 1.465619
N 1.824210 -2.211442 -0.298471
N -5.583282 1.352639 -1.016513
C 2.216757 -1.105176 1.954470
C 2.100803 0.340985 1.545276
C 1.351733 -2.093717 1.078411
C 2.782545 1.015144 0.449298
C 2.313178 2.378082 0.423407
C 1.266382 1.291242 2.138291
C 3.759019 0.610706 -0.502373
C -0.105826 -1.658128 1.181785
C 2.777553 3.323542 -0.518300
C 4.227645 1.549263 -1.441885
C 3.739167 2.890201 -1.453073
C 2.568528 -3.310303 -0.708602
C -1.829917 -0.490091 -0.194290
C 2.989335 -3.308649 -2.173421
C -1.871721 0.654056 -1.024030
C -3.003615 -1.045077 0.369040
C -3.107507 1.263859 -1.299878
C -4.241210 -0.432937 0.094323
C -4.278086 0.711270 -0.732445
H 1.896622 -1.234997 3.004030
H 3.259525 -1.463952 1.879311
H 1.447026 -3.100047 1.530134
H 0.600026 1.180739 2.992426
H 0.903837 3.373407 1.716561
H 1.600292 -1.459855 -0.951750
H 4.152574 -0.411938 -0.495457
H 2.413314 4.357001 -0.524169
H 4.985724 1.252222 -2.174984
H 4.124152 3.596495 -2.196833
H 2.746458 -2.369389 -2.699397
H 2.490790 -4.146336 -2.692096
H 4.075835 -3.488303 -2.237010
H -0.937992 1.046824 -1.436502
H -2.952174 -1.926004 1.010294
H -3.182789 2.148539 -1.936767
H -5.173153 -0.826924 0.507506


