%chk=000044365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044365

0 1
 O   -1.016700       1.244600       2.097200    
 O   0.9949000      -1.278600      -2.063400    
 C  -0.6261000       1.149900      0.7210000    
 C   0.6450000      -1.179300     -0.6782000    
 C   -1.494100      6.4099997E-02  7.6700002E-02
 C    1.512000     -7.5000003E-02 -7.0299998E-02
 C   0.8910000      0.9555000      0.6585000    
 C  -0.8663000     -0.9592000     -0.6576000    
 C  -0.9236000       2.497200      1.0200000E-02
 C   0.9203000      -2.504600      7.9200000E-02
 C   -2.946500      8.9100003E-02  0.1683000    
 C    2.961900     -9.7000003E-02 -0.1834000    
 C    1.698700       1.898100       1.326900    
 C   -1.667200      -1.879900      -1.363500    
 C  -0.4859000       2.436900      -1.440000    
 C   0.3889000      -2.425400       1.497900    
 C   -3.701500     -0.8749000     -0.5511000    
 C    3.724000      0.8908000      0.4949000    
 C    3.083300       1.864500       1.252400    
 C   -3.052800      -1.833900      -1.320100    
 C   -3.715700       1.008700      0.9350000    
 C    3.721200      -1.038500     -0.9319000    
 C  -0.7594000       3.763200      -2.130900    
 C   0.6770000      -3.716800       2.246500    
 C   -5.107100     -0.8883000     -0.5072000    
 C    5.128300      0.9104000      0.4240000    
 C   -5.114100      0.9871000      0.9765000    
 C    5.118300      -1.011000     -0.9998000    
 C   -5.811300      3.7799999E-02  0.2515000    
 C    5.823500     -3.5100002E-02 -0.3192000    
 H  -0.4228000       3.332800      0.5165000    
 H   -1.983000       2.766400      5.6699999E-02
 H   0.4583000      -3.353600     -0.4422000    
 H    1.985700      -2.754000      0.1004000    
 H    1.245600       2.691400       1.918200    
 H   -1.207700      -2.671600      -1.952300    
 H   0.5842000       2.234900      -1.545700    
 H   -1.023300       1.659200      -1.992500    
 H   0.8531000      -1.606000       2.056300    
 H  -0.6942000      -2.274700       1.529600    
 H  -0.9939000       2.177500       2.368700    
 H    1.117300      -2.216200      -2.289000    
 H    3.650700       2.624600       1.785600    
 H   -3.614700      -2.577800      -1.881400    
 H   -3.242600       1.778500       1.536900    
 H    3.239300      -1.833000      -1.493900    
 H  -0.2096000       4.579000      -1.650200    
 H   -1.826500       4.006800      -2.108900    
 H  -0.4458000       3.716300      -3.178700    
 H   0.1992000      -4.571400       1.756500    
 H    1.753500      -3.908800       2.301600    
 H   0.2927000      -3.655600       3.269700    
 H   -5.671500      -1.631800      -1.068000    
 H    5.698800       1.672700      0.9522000    
 H   -5.649200       1.715200       1.579000    
 H    5.646500      -1.756700      -1.587000    
 H   -6.896200      1.3800000E-02  0.2773000    
 H    6.907500     -6.6999998E-03 -0.3658000    


%chk=000044365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044365

0 1
O -1.033371 1.549512 2.061783
O 1.019749 -1.540525 -2.044984
C -0.652260 1.225741 0.647700
C 0.641592 -1.220415 -0.629189
C -1.498441 0.075077 0.092413
C 1.487442 -0.069973 -0.073008
C 0.863418 0.979750 0.619794
C -0.874420 -0.976525 -0.597676
C -0.954367 2.551990 -0.127768
C 0.948158 -2.547802 0.142446
C -2.955431 0.114485 0.170359
C 2.944261 -0.107637 -0.153215
C 1.652062 1.955600 1.321654
C -1.663246 -1.954711 -1.296040
C -0.587406 2.522186 -1.626954
C 0.581478 -2.523257 1.641788
C -3.729129 -0.886052 -0.540068
C 3.717929 0.890503 0.560525
C 3.037038 1.902574 1.312707
C -3.048161 -1.901825 -1.287097
C -3.688791 1.086951 0.938817
C 3.677305 -1.074670 -0.928731
C -0.900821 3.867622 -2.316853
C 0.902679 -3.868372 2.328760
C -5.161173 -0.858693 -0.493106
C 5.149924 0.865492 0.510575
C -5.086305 1.085108 0.973306
C 5.074652 -1.068526 -0.968570
C -5.837242 0.113030 0.245014
C 5.825851 -0.100114 -0.235690
H -0.397584 3.365591 0.374323
H -2.028512 2.784115 -0.023210
H 0.393790 -3.361747 -0.361735
H 2.022984 -2.776341 0.036766
H 1.126386 2.725581 1.893040
H -1.137810 -2.726511 -1.865165
H 0.489642 2.290146 -1.743284
H -1.150364 1.711042 -2.129670
H 1.139867 -1.709993 2.146166
H -0.496805 -2.297570 1.758794
H -0.864699 0.740530 2.610792
H 0.847609 -0.730897 -2.591975
H 3.628197 2.639257 1.869618
H -3.639252 -2.640605 -1.841296
H -3.133057 1.805455 1.543624
H 3.121234 -1.791595 -1.535164
H -0.332588 4.694818 -1.851319
H -1.976616 4.112971 -2.239822
H -0.637192 3.839420 -3.389924
H 0.339954 -4.697960 1.860777
H 1.980028 -4.106910 2.252065
H 0.637952 -3.844332 3.401662
H -5.717043 -1.625717 -1.045863
H 5.705751 1.630000 1.066846
H -5.611647 1.833768 1.576965
H 5.599675 -1.812558 -1.578208
H -6.932186 0.126005 0.278423
H 6.920711 -0.110889 -0.272219


