%chk=000128980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128980

0 1
 O    2.277100      0.4433000     -0.5531000    
 O    3.052100      -2.645100       1.270700    
 O    5.653100      -1.444300      0.8412000    
 O    5.472700       1.435000      0.9545000    
 O    1.475900      -2.617800      -1.120700    
 O    4.158300       3.399600     -0.4458000    
 O    2.720200       2.506000      -1.972000    
 N    1.002400      -1.517700     -0.4392000    
 C    3.289100      -1.558100      0.3769000    
 C    4.428500     -0.7165000      0.9528000    
 C    2.014700     -0.7242000      0.2236000    
 C    4.584800      0.6069000      0.2048000    
 C    3.235900       1.302100      5.4900002E-02
 C  -0.3767000      -1.216300     -0.3857000    
 C   -2.172000      0.1592000      0.3626000    
 C   -3.097700     -0.6674000     -0.3130000    
 C   -2.888500       1.293800       1.064800    
 C  -0.8135000     -0.1031000      0.3345000    
 C    3.319700       2.440800     -0.9091000    
 C   -4.428700     -0.1411000     -0.1000000    
 C   -4.333500       1.013900      0.7083000    
 C   -1.292500      -2.042200      -1.060000    
 C   -2.664000      -1.771800      -1.027300    
 C   -5.661200     -0.5868000     -0.5478000    
 C   -5.456800       1.733000       1.077200    
 C   -6.800300      0.1353000     -0.1786000    
 C   -6.699000       1.283500      0.6257000    
 H    3.636700      -1.974800     -0.5766000    
 H    4.271400     -0.5437000       2.025100    
 H    1.676500     -0.4383000       1.228100    
 H    5.051100      0.4313000     -0.7723000    
 H    2.839900       1.684500       1.003700    
 H   -2.570400       2.260200      0.6632000    
 H   -2.738100       1.236200       2.146700    
 H  -0.1477000      0.5707000      0.8601000    
 H    2.743900      -2.278800       2.117100    
 H    6.359500     -0.8820000       1.202800    
 H    5.058200       1.620600       1.814400    
 H  -0.9563000      -2.909700      -1.623100    
 H   -3.359000      -2.418200      -1.552900    
 H    1.345800      -3.331500     -0.4724000    
 H   -5.755300      -1.471000      -1.169300    
 H   -5.380300       2.619000       1.697400    
 H   -7.778700     -0.1948000     -0.5178000    
 H   -7.599900       1.826900      0.8985000    
 H    4.228400       4.156200      -1.066200    


%chk=000128980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128980

0 1
O 2.260370 0.504359 -0.481891
O 3.129664 -2.915977 0.809970
O 5.605117 -1.570411 0.974137
O 5.520293 1.295952 1.273469
O 1.374668 -2.659497 -1.274454
O 4.495272 3.186220 -0.487740
O 2.179998 3.400782 -0.532273
N 0.965048 -1.581923 -0.388876
C 3.334619 -1.580737 0.227440
C 4.372769 -0.781115 1.018820
C 1.989249 -0.833400 0.232414
C 4.563403 0.612151 0.401010
C 3.180735 1.311718 0.338624
C -0.414387 -1.275079 -0.366535
C -2.220569 0.254545 0.191034
C -3.182059 -0.719379 -0.216362
C -2.930367 1.522537 0.654144
C -0.844988 0.000796 0.105988
C 3.178638 2.712789 -0.268450
C -4.531632 -0.157365 -0.033147
C -4.405127 1.170430 0.483024
C -1.366364 -2.243406 -0.794742
C -2.745321 -1.964355 -0.722248
C -5.809028 -0.709377 -0.279920
C -5.546905 1.943724 0.752242
C -6.955708 0.072679 -0.006395
C -6.829069 1.388241 0.505456
H 3.676727 -1.677091 -0.821327
H 4.041143 -0.657007 2.073601
H 1.671717 -0.559318 1.263961
H 4.960418 0.513235 -0.629761
H 2.787642 1.411193 1.379542
H -2.640721 2.400348 0.043540
H -2.685002 1.774619 1.704636
H -0.111733 0.778971 0.338114
H 4.028557 -3.296321 0.994777
H 6.324434 -1.030486 1.391641
H 5.747506 2.158914 0.836775
H -1.007075 -3.195859 -1.190582
H -3.465553 -2.718422 -1.059120
H 1.826159 -3.300039 -0.640079
H -5.915670 -1.725497 -0.676645
H -5.455301 2.962814 1.146352
H -7.953493 -0.341289 -0.192066
H -7.728510 1.979654 0.711015
H 4.456235 4.099476 -0.882410


