%chk=000052377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052377

0 1
 O    1.742500       2.074100      -1.488600    
 O    4.028800      0.4417000      0.5651000    
 O   0.6811000      -2.050700      0.4015000    
 O    4.627100      -1.191700     -0.9357000    
 O    2.170300      -3.023300      -1.052400    
 N   -2.636900      0.2414000      -1.813300    
 N    1.518600      0.3431000      4.5000002E-02
 N   -4.872300      -1.649400     -0.9851000    
 C   -1.712500       1.819800     -0.5559000    
 C  -0.8343000       2.948100     -0.1053000    
 C   -2.715800       1.168200      0.2146000    
 C   -3.280400      0.1822000     -0.5977000    
 C   0.4649000       2.453700      0.5320000    
 C   -1.687800       1.228100      -1.797700    
 C   -4.308400     -0.6600000     -0.1594000    
 C   -3.199400       1.322800       1.529000    
 C    1.307700       1.632800     -0.4283000    
 C   -4.771900     -0.4881000       1.148100    
 C   -4.227300      0.4874000       1.980900    
 C    2.288100     -0.6387000     -0.6735000    
 C    3.772900     -0.5201000     -0.3667000    
 C    1.734000      -2.039100     -0.4645000    
 C    5.409500      0.6556000      0.8771000    
 C   6.3900001E-02  -3.324600      0.6152000    
 C    5.515900       1.747400       1.920300    
 C   -1.078300      -3.160900       1.595200    
 H   -1.373900       3.578400      0.6114000    
 H  -0.6027000       3.587400     -0.9669000    
 H   0.2389000       1.883900       1.441000    
 H    1.072400       3.312000      0.8425000    
 H   -1.081800       1.418600      -2.672500    
 H   -2.835600     -0.3567000      -2.603300    
 H   -2.785300       2.077100       2.191800    
 H   -5.570100      -1.120000       1.531600    
 H    2.168900     -0.4110000      -1.740300    
 H   -4.603800      0.6020000       2.994000    
 H    1.137200      7.2999999E-02  0.9469000    
 H   -4.522500      -1.758400      -1.928400    
 H   -5.312900      -2.448800     -0.5469000    
 H    5.945900      0.9567000     -2.9700000E-02
 H    5.843700     -0.2719000       1.266300    
 H   0.8024000      -4.024800       1.020800    
 H  -0.3184000      -3.708800     -0.3370000    
 H    6.560400       1.938000       2.182100    
 H    4.968900       1.468500       2.826900    
 H    5.067900       2.676500       1.552400    
 H  -0.7149000      -2.759200       2.546900    
 H   -1.815400      -2.448300       1.211300    
 H   -1.574800      -4.117200       1.781300    


%chk=000052377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052377

0 1
O 1.614816 2.559883 -1.719086
O 3.733911 0.266455 0.790546
O 0.681963 -1.824538 0.305503
O 3.803902 -1.646573 -0.538718
O 0.407828 -1.659853 -2.008463
N -2.274797 -0.024236 -1.849310
N 1.247626 0.981395 -0.051805
N -3.795947 -2.339289 -0.590306
C -1.825643 2.000247 -0.875688
C -1.179831 3.339052 -0.619201
C -2.580257 1.192755 0.071508
C -2.837284 -0.069357 -0.562974
C 0.171744 3.188531 0.165412
C -1.651796 1.220635 -2.019043
C -3.564226 -1.112016 0.070404
C -3.035326 1.411901 1.403196
C 1.091723 2.246109 -0.605744
C -3.991493 -0.871471 1.398748
C -3.724262 0.368151 2.049194
C 1.912999 -0.092208 -0.779736
C 3.236314 -0.593031 -0.171324
C 0.939288 -1.280143 -0.943731
C 5.059660 -0.115165 1.381034
C -0.265869 -2.987904 0.369160
C 5.447313 1.000996 2.343636
C -0.504717 -3.275677 1.846664
H -1.846962 4.003772 -0.038338
H -0.958027 3.846889 -1.574609
H -0.026350 2.814626 1.187172
H 0.661038 4.175797 0.242912
H -1.099068 1.451611 -2.927994
H -2.050043 -0.836558 -2.423532
H -2.863595 2.367881 1.909649
H -4.557166 -1.648411 1.928665
H 2.141889 0.305347 -1.787537
H -4.085747 0.508317 3.074500
H 0.813885 0.754503 0.844689
H -3.873681 -2.345603 -1.606628
H -4.356027 -3.039199 -0.106071
H 5.780401 -0.236024 0.552620
H 4.940609 -1.092759 1.882089
H 0.216512 -3.830267 -0.158814
H -1.196706 -2.716333 -0.157580
H 6.425128 0.771626 2.805136
H 4.700114 1.108112 3.148389
H 5.530210 1.965107 1.814055
H 0.442725 -3.493259 2.368963
H -0.995710 -2.417731 2.336721
H -1.166570 -4.155295 1.947766


