%chk=000121680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121680

0 1
 O    5.944800      -2.032400       1.084900    
 O  -0.3271000       2.347300      0.9597000    
 O   -2.946500       2.093200       1.009100    
 N    4.570000      2.6200000E-02 -0.3201000    
 N   0.5765000       1.592500      -1.037900    
 C    3.402300      0.5633000      -1.015700    
 C    4.240500     -0.3059000       1.072900    
 C    5.088600      -1.162100      -1.011900    
 C    2.934700       1.855500     -0.3440000    
 C    5.470400     -0.8751000       1.774200    
 C    6.298100      -1.712000     -0.2612000    
 C    1.725500       2.469100      -1.044000    
 C  -0.3862000       1.589600     -2.3300000E-02
 C   -1.473400      0.6281000     -0.1488000    
 C   -3.781100     -3.2099999E-02  0.2478000    
 C   -2.738300      0.9004000      0.3732000    
 C   -3.537300      -1.257800     -0.4164000    
 C   -1.233800     -0.5771000     -0.8020000    
 C   -2.258000      -1.514900     -0.9356000    
 C   -5.060300      0.2251000      0.7671000    
 C   -4.580000      -2.190200     -0.5418000    
 C   -6.084600     -0.7128000      0.6335000    
 C   -5.844800      -1.918000     -1.9700000E-02
 H    2.591400     -0.1755000      -1.040200    
 H    3.666900      0.7901000      -2.056200    
 H    3.423400      -1.037900       1.111400    
 H    3.948800      0.5711000       1.655500    
 H    5.391200     -0.9063000      -2.033700    
 H    4.313000      -1.936900      -1.070300    
 H    3.750500       2.588900     -0.3362000    
 H    2.632100       1.689900      0.6940000    
 H    6.276800     -0.1346000       1.843800    
 H    5.211700      -1.179200       2.793600    
 H    6.647900      -2.631600     -0.7411000    
 H    7.132400      -1.000000     -0.2612000    
 H    1.960700       2.689400      -2.090700    
 H    1.455700       3.412200     -0.5563000    
 H   0.4638000      0.9906000      -1.846900    
 H  -0.2561000     -0.8422000      -1.194500    
 H   -2.046700      -2.453600      -1.443800    
 H   -5.309200       1.154700       1.271000    
 H   -4.415400      -3.138700      -1.048700    
 H   -7.070800     -0.5005000       1.036000    
 H   -6.642900      -2.647300     -0.1243000    
 H   -3.600400       1.983200       1.717300    


%chk=000121680-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121680

0 1
O 6.285995 -2.200054 0.621420
O -0.282124 2.417659 1.233505
O -3.156048 2.404078 0.189004
N 4.630282 0.007427 -0.313569
N 0.485131 1.651845 -0.826383
C 3.455231 0.649309 -0.951919
C 4.277607 -0.762864 0.908318
C 5.374394 -0.863930 -1.261687
C 2.910138 1.848998 -0.151603
C 5.546790 -1.336789 1.558267
C 6.632906 -1.428934 -0.583597
C 1.682803 2.512125 -0.820806
C -0.420879 1.659524 0.227564
C -1.538570 0.649653 0.086009
C -3.946314 0.049411 0.104427
C -2.888305 1.031924 0.146380
C -3.586644 -1.352390 0.026240
C -1.213693 -0.741874 -0.016650
C -2.204599 -1.722609 -0.037823
C -5.336158 0.403989 0.130481
C -4.631031 -2.335094 0.006257
C -6.330418 -0.577231 0.109294
C -5.975100 -1.961322 0.050652
H 2.630568 -0.093549 -1.124386
H 3.776604 1.008573 -1.950535
H 3.577271 -1.604115 0.666071
H 3.772466 -0.099372 1.632735
H 5.670439 -0.263032 -2.142933
H 4.742592 -1.716575 -1.621150
H 3.715991 2.600624 -0.049304
H 2.615805 1.550041 0.870788
H 6.200484 -0.503043 1.893957
H 5.296182 -1.981124 2.417074
H 7.158963 -2.136036 -1.246343
H 7.313842 -0.593695 -0.311220
H 1.914156 2.795386 -1.865418
H 1.420324 3.428395 -0.263176
H 0.286864 1.062526 -1.636070
H -0.156237 -1.029293 -0.041567
H -1.936923 -2.783220 -0.095212
H -5.650021 1.456309 0.156962
H -4.352051 -3.394011 -0.046802
H -7.386329 -0.287753 0.130847
H -6.762081 -2.722798 0.035310
H -4.095502 2.588612 0.435096


