%chk=000100830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100830

0 1
 O  -0.8931000     -0.4497000       2.728100    
 O    1.911600      0.8667000      -2.486000    
 O   -5.884900      0.7856000      -1.908000    
 O   -4.659900       2.415900      -2.720400    
 O   -2.578600      -3.508300      0.4526000    
 O  -0.9380000      -4.287400       1.685800    
 N    4.355300      0.7366000      0.2634000    
 N  -0.2529000       1.776300       2.600900    
 N    3.625800     -0.6349000      -2.052100    
 N   -4.861500       1.510800      -1.875100    
 N   -1.365800      -3.539700      0.7733000    
 C    2.590800       1.182400       1.905600    
 C    3.953400       1.609000       1.360500    
 C    2.146200       2.093300       3.054700    
 C    5.365800       1.377500     -0.5660000    
 C    5.799900      0.4845000      -1.732000    
 C   0.7739000       1.717500       3.604000    
 C    4.673600      0.1108000      -2.693700    
 C   -1.014300      0.6706000       2.239400    
 C    2.310200     -0.1887000      -2.000200    
 C   -2.018300      0.8896000       1.166500    
 C    1.350900      -1.062900      -1.277300    
 C   -3.163500      9.5100001E-02   1.109300    
 C   -1.815300       1.889900      0.2157000    
 C  -2.0999999E-03  -1.044400      -1.615800    
 C    1.803800      -1.901900     -0.2592000    
 C   -4.105400      0.3008000      0.1013000    
 C   -2.757100       2.095500     -0.7923000    
 C   -3.902100       1.300900     -0.8495000    
 C  -0.9024000      -1.864900     -0.9361000    
 C   0.9036000      -2.722400      0.4205000    
 C  -0.4495000      -2.703900      8.2099997E-02
 H    2.636900      0.1454000       2.260500    
 H    1.854800       1.215800       1.093400    
 H    3.869700       2.647900       1.017100    
 H    4.709700       1.584800       2.153800    
 H    2.881000       2.050300       3.867300    
 H    2.119100       3.131500       2.700200    
 H    6.249900       1.618500      3.6800001E-02
 H    4.977600       2.317500     -0.9773000    
 H    6.253100     -0.4321000      -1.332100    
 H    6.585500       1.001600      -2.296100    
 H    4.698500     -0.1508000      0.6283000    
 H   0.8111000      0.7198000       4.054300    
 H   0.4905000       2.423300       4.392100    
 H    4.268600       1.012700      -3.164600    
 H    5.072700     -0.5255000      -3.491000    
 H  -0.4566000       2.690000       2.209900    
 H    3.871700      -1.551900      -1.694600    
 H   -3.340300     -0.6864000       1.843600    
 H  -0.9223000       2.507900      0.2066000    
 H  -0.3729000     -0.4004000      -2.409000    
 H    2.843100      -1.928100      5.3800002E-02
 H   -4.985300     -0.3372000      8.8000000E-02
 H   -2.562500       2.878700      -1.520600    
 H   -1.947700      -1.829200      -1.231700    
 H    1.290600      -3.358300       1.212700    


%chk=000100830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100830

0 1
O -0.278367 -0.259720 2.217648
O 3.596981 -1.751788 -3.989951
O -6.590672 0.859792 -0.680294
O -6.261257 3.108998 -0.489197
O -2.409065 -4.322664 -1.542921
O -2.304214 -2.967208 0.282692
N 4.437088 0.887932 0.356364
N -0.322707 1.852971 3.182330
N 3.890043 -0.377762 -2.136870
N -5.899279 1.882136 -0.307828
N -1.821543 -3.421681 -0.829459
C 2.649817 1.303041 2.057388
C 3.887907 1.867284 1.335599
C 2.194049 2.194349 3.233984
C 5.628523 1.404969 -0.388830
C 6.145845 0.391681 -1.433076
C 0.925036 1.666746 3.950101
C 5.177363 0.155772 -2.611903
C -0.854508 0.866308 2.371953
C 3.189265 -1.313352 -2.861573
C -2.162394 1.182998 1.684933
C 1.893919 -1.825795 -2.263056
C -2.945958 0.087942 1.237015
C -2.610733 2.510242 1.444322
C 1.163540 -2.763501 -3.040156
C 1.387393 -1.431144 -0.996054
C -4.174169 0.306227 0.584764
C -3.834200 2.745440 0.790206
C -4.602620 1.635231 0.377826
C -0.049831 -3.296242 -2.573795
C 0.171568 -1.951236 -0.508559
C -0.531586 -2.875470 -1.312624
H 2.873860 0.288965 2.448349
H 1.826680 1.177289 1.331495
H 3.613131 2.783798 0.778020
H 4.658452 2.168558 2.087789
H 3.007385 2.251337 3.986552
H 2.014629 3.231318 2.883801
H 6.456096 1.681057 0.306959
H 5.317903 2.336121 -0.902821
H 6.370350 -0.575450 -0.939305
H 7.103125 0.771400 -1.839160
H 4.689090 0.013050 0.847217
H 1.031249 0.584139 4.144518
H 0.800597 2.180657 4.921123
H 5.016749 1.110765 -3.156401
H 5.592952 -0.562896 -3.339625
H -0.859101 2.706599 3.341143
H 3.595722 0.000254 -1.216553
H -2.578381 -0.930529 1.391541
H -1.997322 3.373787 1.726257
H 1.581620 -3.051123 -4.009670
H 1.926353 -0.715943 -0.365517
H -4.790438 -0.526839 0.237536
H -4.198306 3.755763 0.587605
H -0.626559 -4.017473 -3.158377
H -0.214472 -1.641103 0.467946


