%chk=000100126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100126

0 1
 O    3.012800     -0.5372000     -0.6104000    
 O   -1.335500     -9.9999998E-03 -0.1742000    
 O   -3.356000      0.6971000      -2.088200    
 O   -2.542400      -1.865700       1.655500    
 O   -2.034200       1.774200       1.100400    
 O    3.071400      0.9613000       1.129100    
 N   -2.684000     -0.4284000     -0.1672000    
 N    1.159500      0.6492000     -0.1483000    
 C    4.377300     -0.8845000     -0.3495000    
 C   -4.889100     -0.6351000     -0.7714000    
 C   -4.619000      -1.485800      0.4714000    
 C   0.3030000       1.595600      0.5197000    
 C    4.781800      -1.953300      -1.362400    
 C    4.476700      -1.428600       1.074900    
 C    5.238100      0.3669000     -0.5160000    
 C   -3.559700     -2.4499999E-02  -1.124200    
 C   -3.151500      -1.310600      0.7542000    
 C   -1.150400       1.144600      0.5272000    
 C    2.471500      0.4109000      0.2116000    
 C   0.4296000       2.963800     -0.1322000    
 H   -5.247300      -1.249400      -1.602600    
 H   -5.615900      0.1552000     -0.5618000    
 H   -5.205300      -1.137300       1.326600    
 H   -4.837300      -2.541300      0.2848000    
 H   0.6220000       1.654500       1.567100    
 H    4.664600      -1.581600      -2.386900    
 H    4.134800      -2.833800      -1.276900    
 H    5.820300      -2.272200      -1.226600    
 H    3.662400      -2.131900       1.284500    
 H    5.424400      -1.962400       1.214500    
 H    4.453200     -0.6653000       1.856600    
 H    5.174400       1.076900      0.3123000    
 H    6.297700      9.4899997E-02 -0.5912000    
 H    4.966000      0.9108000      -1.428000    
 H   0.7858000      0.1334000     -0.9397000    
 H   0.1081000       2.933200      -1.179800    
 H  -0.1912000       3.705000      0.3821000    
 H    1.466100       3.317300     -0.1122000    


%chk=000100126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100126

0 1
O 3.116745 -0.434300 -0.586925
O -1.346328 0.083119 -0.325355
O -3.635555 1.320966 -1.558871
O -2.242560 -2.195642 1.255114
O -1.862214 1.541279 1.466800
O 2.960549 1.115791 1.209693
N -2.684693 -0.382116 -0.213649
N 1.223360 0.768243 -0.324419
C 4.514408 -0.926010 -0.222588
C -5.013506 -0.501406 -0.507118
C -4.549994 -1.664779 0.412969
C 0.326457 1.738407 0.297696
C 4.778311 -1.964991 -1.325729
C 4.475710 -1.578554 1.173553
C 5.507263 0.250845 -0.301949
C -3.754802 0.295366 -0.860017
C -3.034179 -1.509089 0.583663
C -1.047715 1.158538 0.625176
C 2.485585 0.531983 0.197387
C 0.109832 3.011916 -0.572125
H -5.487484 -0.851566 -1.439761
H -5.728605 0.176808 -0.011672
H -5.017740 -1.633847 1.411281
H -4.757729 -2.660353 -0.014749
H 0.793615 2.031226 1.255256
H 4.740064 -1.492039 -2.322152
H 4.022753 -2.768429 -1.290294
H 5.777859 -2.414074 -1.186636
H 3.708883 -2.372691 1.206532
H 5.457469 -2.037537 1.391291
H 4.253621 -0.832564 1.952763
H 5.285879 1.006477 0.467972
H 6.534975 -0.125218 -0.145641
H 5.462900 0.726730 -1.297836
H 0.916557 0.223243 -1.130724
H -0.361308 2.755316 -1.536790
H -0.536312 3.736594 -0.047566
H 1.090631 3.478260 -0.761781


