%chk=000025401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025401

0 1
 O  -0.5973000       1.612900      0.3733000    
 O   -1.674500     -0.9116000       2.371200    
 N    2.235800       1.437300      4.9400002E-02
 C    2.284500      0.8536000      -1.298500    
 C    3.586400       1.611600      0.6019000    
 C    2.984200     -0.5063000      -1.285900    
 C    4.328700      0.2764000      0.6769000    
 C    1.522900       2.714300      2.8300000E-02
 C    4.382000     -0.4054000     -0.6855000    
 C   0.1047000       2.491000     -0.4981000    
 C    1.519100       3.336500       1.424900    
 C   -1.876700       1.279600      1.4000000E-02
 C   -2.414900      4.7400001E-02  0.3705000    
 C   -2.629600       2.195200     -0.7144000    
 C   -3.719500     -0.2729000     -5.2999998E-03
 C   -1.639200     -0.9212000       1.132800    
 C   -3.934200       1.875000      -1.090200    
 C   -4.479200      0.6409000     -0.7356000    
 C  -0.7816000      -1.952100      0.4764000    
 C  -0.7230000      -1.984000     -0.8979000    
 C  -8.1699997E-02  -2.829500       1.272500    
 C   7.9899997E-02  -2.946400      -1.510000    
 C   0.7212000      -3.791900      0.6603000    
 C   0.8021000      -3.850400     -0.7310000    
 H    2.792400       1.525100      -2.003000    
 H    1.289300      0.6419000      -1.696800    
 H    3.562600       1.980500       1.631800    
 H    4.168400       2.325400      4.1000000E-03
 H    3.044500     -0.9063000      -2.304200    
 H    2.395600      -1.214800     -0.6932000    
 H    3.826800     -0.3840000       1.395800    
 H    5.347000      0.4381000       1.048200    
 H    2.022400       3.420700     -0.6496000    
 H    4.823100      -1.403600     -0.5896000    
 H    5.028700      0.1707000      -1.358500    
 H  -0.3632000       3.483400     -0.4675000    
 H   5.9000000E-02   2.160700      -1.540900    
 H    2.485900       3.779200       1.686200    
 H    1.239100       2.613500       2.199800    
 H   0.7927000       4.156400       1.473800    
 H   -2.272900       3.177400      -1.001000    
 H   -4.155500      -1.231100      0.2654000    
 H   -4.528300       2.587900      -1.654500    
 H   -5.495400      0.3922000      -1.027200    
 H   -1.266900      -1.296900      -1.536700    
 H  -0.1277000      -2.803000       2.356600    
 H   0.1450000      -2.990800      -2.593200    
 H    1.284500      -4.495200       1.266700    
 H    1.428500      -4.598700      -1.207700    


%chk=000025401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025401

0 1
O -0.720385 1.161262 0.118537
O -3.127860 -1.125377 2.319345
N 2.340234 1.225588 -0.475522
C 2.855072 1.824321 -1.736077
C 3.444554 0.588316 0.287855
C 3.517308 0.765611 -2.641316
C 4.132197 -0.509657 -0.551380
C 1.496155 2.201279 0.285376
C 4.661453 0.052595 -1.888341
C 0.090026 2.299934 -0.345362
C 1.379341 1.902856 1.794673
C -2.037991 1.062178 -0.336171
C -2.840666 0.031463 0.244373
C -2.604191 1.952056 -1.286768
C -4.206847 -0.051809 -0.126223
C -2.367553 -0.913672 1.321079
C -3.957729 1.818601 -1.662906
C -4.768701 0.817322 -1.083241
C -1.076018 -1.665445 1.194480
C -0.427442 -1.853516 -0.053227
C -0.538423 -2.278703 2.358704
C 0.733325 -2.650184 -0.136740
C 0.632143 -3.058251 2.278214
C 1.268614 -3.250458 1.027055
H 3.602824 2.633763 -1.513137
H 2.020358 2.303613 -2.280425
H 3.032916 0.132717 1.202441
H 4.217570 1.342244 0.598828
H 3.894717 1.252566 -3.561339
H 2.750943 0.024875 -2.940669
H 3.391842 -1.307715 -0.749985
H 4.955717 -0.954151 0.040722
H 1.936258 3.230535 0.184738
H 5.093857 -0.755193 -2.508720
H 5.476780 0.778427 -1.687478
H -0.403574 3.242554 -0.026680
H 0.155085 2.283463 -1.450228
H 2.349739 2.013453 2.307208
H 0.985594 0.888625 1.970122
H 0.673076 2.618003 2.253885
H -2.004132 2.753649 -1.725456
H -4.819427 -0.816563 0.362515
H -4.379013 2.509286 -2.402170
H -5.821674 0.721556 -1.365850
H -0.835730 -1.385051 -0.953986
H -1.064502 -2.137901 3.308820
H 1.220914 -2.802419 -1.105963
H 1.045008 -3.522800 3.180569
H 2.173938 -3.865147 0.960621


