%chk=000063622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063622

0 1
 O    4.385800       1.516500      0.9846000    
 O    1.885000       2.970700      -2.727600    
 O    2.742700       1.122100      -1.911600    
 N    2.394400      0.3801000      0.4428000    
 N    2.522300      -1.914600     -0.2103000    
 N    2.058500       2.164200      -1.784300    
 N   -3.800600      -1.446100     -0.1882000    
 C    1.825300     -0.8502000      4.7800001E-02
 C    1.613700       1.584800      0.5595000    
 C    4.571900     -0.7266000      0.3965000    
 C    3.783500      0.4958000      0.6596000    
 C    3.911100      -1.869300     -5.4699998E-02
 C   0.3521000      -1.007600     -1.4500000E-02
 C    1.457800       2.441800     -0.5241000    
 C    5.961600     -0.7268000      0.5677000    
 C    1.018100       1.873400       1.782500    
 C    4.659400      -3.019600     -0.3326000    
 C  -0.3497000      -1.376400       1.127800    
 C  -0.3148000     -0.7830000      -1.214000    
 C   0.6967000       3.602200     -0.3832000    
 C    6.694500      -1.879300      0.2878000    
 C    6.044500      -3.025100     -0.1635000    
 C   0.2570000       3.033900       1.923400    
 C   -1.735700      -1.522400       1.070000    
 C   -1.700800     -0.9290000      -1.271600    
 C   -2.411200      -1.298700     -0.1297000    
 C   9.6299998E-02   3.898300      0.8406000    
 C   -4.501300     -0.3846000      7.0699997E-02
 C   -5.973800     -0.3859000      4.6900000E-02
 C   -6.658700      0.7837000      0.3350000    
 C   -6.646500      -1.557000     -0.2630000    
 C   -8.053400      0.7822000      0.3127000    
 C   -8.041200      -1.558600     -0.2856000    
 C   -8.744600     -0.3889000      2.4000001E-03
 H    6.489300      0.1575000      0.9140000    
 H    1.139000       1.208600       2.633700    
 H    4.164200      -3.923300     -0.6802000    
 H   0.1680000      -1.552800       2.066800    
 H   0.2291000     -0.4985000      -2.110400    
 H   0.5468000       4.301400      -1.202000    
 H    7.772600      -1.882700      0.4197000    
 H    6.614500      -3.923300     -0.3817000    
 H  -0.2102000       3.264500       2.876300    
 H   -2.280300      -1.811400       1.965200    
 H   -2.217800     -0.7538000      -2.211500    
 H  -0.4965000       4.801600      0.9508000    
 H   -4.011700      0.5755000      0.3224000    
 H   -6.131500       1.701900      0.5780000    
 H   -6.123200      -2.481100     -0.4909000    
 H   -8.601300       1.692800      0.5369000    
 H   -8.579800      -2.470300     -0.5272000    
 H   -9.830500     -0.3901000     -1.5000000E-02


%chk=000063622-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063622

0 1
O 4.681230 1.216523 1.420465
O 0.231943 2.736030 -1.855648
O 2.062245 1.387967 -1.744274
N 2.589056 0.339233 0.769040
N 2.410697 -1.743779 -0.433851
N 1.182988 2.159417 -1.198995
N -3.911053 -0.806009 0.373261
C 1.838487 -0.713813 0.169421
C 1.978007 1.590927 1.160298
C 4.642735 -0.873186 0.186476
C 4.037472 0.292164 0.847794
C 3.808458 -1.829307 -0.473588
C 0.352452 -0.683992 0.234536
C 1.280743 2.441175 0.256895
C 6.054082 -1.019195 0.165568
C 2.098217 2.004944 2.505827
C 4.410090 -2.921378 -1.158358
C -0.363983 -0.327713 1.410843
C -0.376491 -1.121985 -0.902979
C 0.668884 3.634644 0.703501
C 6.635328 -2.103498 -0.512425
C 5.808177 -3.052973 -1.177886
C 1.518711 3.210280 2.950405
C -1.766935 -0.387706 1.438808
C -1.780446 -1.153189 -0.890399
C -2.499854 -0.765105 0.279314
C 0.788965 4.022134 2.050415
C -4.677645 -0.461462 -0.633300
C -6.143226 -0.588571 -0.585246
C -6.916527 -0.171249 -1.703435
C -6.803569 -1.123686 0.557221
C -8.322701 -0.286253 -1.683621
C -8.206461 -1.236899 0.574584
C -8.970779 -0.819230 -0.544813
H 6.662225 -0.266505 0.677526
H 2.656162 1.368080 3.196877
H 3.754281 -3.643334 -1.653758
H 0.174276 -0.040709 2.319120
H 0.182464 -1.437309 -1.788886
H 0.118965 4.239636 -0.021996
H 7.723998 -2.218947 -0.532661
H 6.267385 -3.895358 -1.706829
H 1.631962 3.510754 3.996896
H -2.323515 -0.141876 2.348169
H -2.326285 -1.507405 -1.772027
H 0.326321 4.952967 2.392490
H -4.258468 -0.031448 -1.568265
H -6.411298 0.242994 -2.585259
H -6.191929 -1.439066 1.408658
H -8.911431 0.037209 -2.548856
H -8.711071 -1.649216 1.455360
H -10.062731 -0.909225 -0.527711


