%chk=000045256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045256

0 1
 O    1.626400      -1.103900      0.4032000    
 O    3.343200      -2.466100     -0.3010000    
 N   -2.513600     -0.2890000      0.5362000    
 C   -3.043300      0.8352000     -0.2609000    
 C   -3.633600      0.3995000      -1.614600    
 C   -4.061800       1.633900      0.5650000    
 C   -3.466700      -1.402100      0.6572000    
 C   -4.633100     -0.7453000      -1.480900    
 C   -4.034800      -1.892100     -0.6758000    
 C   -1.215300     -0.7447000      3.7900001E-02
 C   -3.462700       2.021100       1.911800    
 C   -4.513800       2.869400     -0.2046000    
 C  -0.5998000      -1.749900       1.006100    
 C   0.7638000      -2.226500      0.5246000    
 C    2.893900      -1.365700     -2.1000000E-02
 C    3.690600     -0.1155000     -0.1041000    
 C    5.052900     -0.1773000      0.1063000    
 C    3.043800       1.069500     -0.3889000    
 C    5.801200      0.9973000      2.8400000E-02
 C    3.792000       2.244200     -0.4669000    
 C    5.170700       2.207900     -0.2581000    
 H   -2.214100       1.524300     -0.4776000    
 H   -4.084800       1.227500      -2.167500    
 H   -2.810900      5.4699998E-02  -2.255700    
 H   -4.958700       1.037000      0.7692000    
 H   -3.092000      -2.247600       1.237600    
 H   -4.309500      -1.052600       1.268400    
 H   -5.549000     -0.3891000     -0.9956000    
 H   -4.922600      -1.103600      -2.475200    
 H   -3.251200      -2.387500      -1.261000    
 H   -4.808900      -2.645400     -0.4887000    
 H  -0.5423000      0.1179000     -3.9999999E-02
 H   -1.286400      -1.183200     -0.9641000    
 H   -3.262900       1.149600       2.543200    
 H   -4.155100       2.660200       2.471400    
 H   -2.527200       2.578100       1.788700    
 H   -3.664000       3.441500     -0.5919000    
 H   -5.089300       3.538100      0.4461000    
 H   -5.175200       2.616800      -1.038300    
 H   -1.201800      -2.653500       1.123700    
 H  -0.4914000      -1.282900       1.993200    
 H    1.182200      -2.932800       1.251100    
 H   0.6687000      -2.727200     -0.4463000    
 H    5.554500      -1.113300      0.3335000    
 H    1.974300       1.122700     -0.5689000    
 H    6.874600      0.9694000      0.1916000    
 H    3.301900       3.186600     -0.6931000    
 H    5.753400       3.122500     -0.3193000    


%chk=000045256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045256

0 1
O 1.636316 -1.052638 0.556600
O 3.421641 -2.412109 -0.070159
N -2.611485 -0.479997 0.400573
C -3.051069 0.719369 -0.386873
C -3.684851 0.291559 -1.747581
C -3.960379 1.650977 0.480950
C -3.703834 -1.473070 0.588566
C -4.848520 -0.711354 -1.551821
C -4.369990 -1.937090 -0.736372
C -1.316898 -1.060934 -0.024994
C -3.222679 2.069008 1.774713
C -4.412797 2.905440 -0.305600
C -0.602143 -1.809195 1.124272
C 0.801193 -2.278521 0.742311
C 2.957666 -1.265770 0.155933
C 3.723110 0.010492 0.037341
C 5.070641 -0.060870 -0.401732
C 3.147088 1.268474 0.354098
C 5.835937 1.116841 -0.525128
C 3.917628 2.444186 0.230873
C 5.260995 2.371274 -0.208828
H -2.132353 1.304742 -0.602197
H -4.024081 1.175962 -2.317556
H -2.897100 -0.192606 -2.361023
H -4.871569 1.090813 0.776269
H -3.300733 -2.340069 1.142816
H -4.479115 -1.022106 1.239425
H -5.687296 -0.217717 -1.018994
H -5.244525 -1.031400 -2.534795
H -3.643184 -2.518553 -1.339284
H -5.216535 -2.615076 -0.510312
H -0.663760 -0.229231 -0.347193
H -1.404807 -1.754269 -0.900087
H -2.831431 1.179913 2.297710
H -3.896667 2.623283 2.454580
H -2.364736 2.729382 1.537824
H -3.539213 3.439185 -0.729364
H -4.939211 3.608831 0.366051
H -5.099752 2.662916 -1.136081
H -1.182043 -2.704501 1.424167
H -0.550059 -1.144367 2.005720
H 1.267700 -2.894884 1.531873
H 0.815651 -2.856247 -0.201145
H 5.493439 -1.043230 -0.637046
H 2.109062 1.309909 0.695543
H 6.875738 1.060134 -0.864793
H 3.474446 3.415010 0.478049
H 5.856863 3.286206 -0.302900


