%chk=000044780.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044780

0 1
 O    3.224600       3.253700      0.5344000    
 N   -3.032800      0.8428000       2.303300    
 N    1.735100       1.567300       1.049700    
 C   7.8800000E-02  3.4499999E-02 -9.9999997E-05
 C  -0.8150000      0.5879000       1.176300    
 C   -2.309200      0.1658000       1.225200    
 C    1.525800      0.6978000      0.1011000    
 C  -0.6223000      0.4597000      -1.325500    
 C   0.3762000      -1.491100      8.5699998E-02
 C   -2.425700      -1.345500       1.444700    
 C    2.564000      0.3853000     -0.9824000    
 C   -1.432600     -0.4532000      -1.930900    
 C   0.6103000      -2.156200      -1.081300    
 C  -0.3795000       1.716800      -1.792100    
 C   0.3843000      -2.065200       1.322500    
 C   -2.902200       2.292800       2.172400    
 C   -4.441500      0.4521000       2.294700    
 C    3.465300     -0.7810000     -0.6161000    
 C   -2.060300     -7.2700001E-02  -3.117200    
 C   0.8771000      -3.523100      -1.004500    
 C   -1.007300       2.097200      -2.978100    
 C   0.6513000      -3.432200       1.399100    
 C   -1.847700       1.202500      -3.640700    
 C   0.8976000      -4.161000      0.2356000    
 C    2.937100       2.222800       1.136300    
 C    3.948900       1.502100       1.987700    
 H  -0.3521000      0.4152000       2.155900    
 H  -0.7859000       1.678100       1.052600    
 H   -2.787700      0.4164000      0.2714000    
 H   -2.010100      -1.661000       2.406500    
 H   -2.010200      -1.927800      0.6266000    
 H   -3.468200      -1.681400       1.433100    
 H    2.061400      0.1777000      -1.931000    
 H    3.173400       1.272800      -1.179700    
 H   -1.700100      -1.422500      -1.531600    
 H   0.6876000      -1.700200      -2.060700    
 H   0.2513000       2.437500      -1.285100    
 H   0.2639000      -1.528200       2.253300    
 H   -1.905700       2.640400       2.462200    
 H   -3.138100       2.649300       1.163000    
 H   -3.579200       2.804800       2.867600    
 H   -5.020900       1.092500       2.971800    
 H   -4.898900      0.5322000       1.301700    
 H   -4.593600     -0.5569000       2.689200    
 H    4.514600     -0.4694000     -0.6661000    
 H    3.284900      -1.164300      0.3922000    
 H    3.357900      -1.601700      -1.331500    
 H   -2.729900     -0.7620000      -3.623500    
 H    1.088500      -4.087400      -1.908200    
 H  -0.8468000       3.092300      -3.382800    
 H   0.6831000      -3.926400       2.365800    
 H   -2.341000       1.500800      -4.561100    
 H    1.113300      -5.223700      0.2961000    
 H    3.486200      0.6804000       2.541900    
 H    4.742600       1.103300       1.351700    
 H    4.374200       2.206600       2.707600    


%chk=000044780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044780

0 1
O 3.230123 3.024282 0.702018
N -2.947387 1.134254 2.074775
N 1.825864 1.196127 1.084571
C 0.074522 -0.111268 -0.069020
C -0.785612 0.406476 1.144310
C -2.312336 0.098243 1.183731
C 1.507793 0.505055 0.030901
C -0.597297 0.405473 -1.365604
C 0.361735 -1.643269 -0.045055
C -2.599779 -1.340542 1.659559
C 2.507103 0.247927 -1.100427
C -1.611251 -0.329133 -2.035432
C 0.513758 -2.411651 -1.230079
C -0.308193 1.715945 -1.829574
C 0.640475 -2.284835 1.192543
C -3.129229 2.424577 1.371368
C -4.206198 0.745922 2.743704
C 3.715009 -0.619879 -0.662164
C -2.287819 0.213320 -3.149945
C 0.890945 -3.772213 -1.179141
C -0.983903 2.262961 -2.942708
C 1.019585 -3.642561 1.249048
C -1.974945 1.511688 -3.613704
C 1.142778 -4.399402 0.061120
C 2.959326 1.972712 1.358715
C 3.713334 1.564211 2.618316
H -0.342617 0.068132 2.096493
H -0.652342 1.501397 1.154885
H -2.736125 0.201531 0.155324
H -2.234624 -1.497662 2.691994
H -2.080128 -2.063749 1.010066
H -3.677437 -1.577350 1.628225
H 1.993454 -0.228352 -1.950754
H 2.878097 1.232071 -1.445644
H -1.881608 -1.330040 -1.682462
H 0.339415 -1.949490 -2.206534
H 0.444114 2.325343 -1.313830
H 0.567403 -1.719496 2.126687
H -2.187347 2.754033 0.902201
H -3.905348 2.372616 0.565421
H -3.435091 3.202397 2.094324
H -4.520770 1.576070 3.402666
H -5.052475 0.537012 2.038897
H -4.058338 -0.142110 3.377964
H 4.419950 -0.735286 -1.504633
H 4.267141 -0.148831 0.170786
H 3.389400 -1.625005 -0.342527
H -3.065727 -0.375839 -3.648913
H 0.993600 -4.338145 -2.112013
H -0.737209 3.275470 -3.281294
H 1.221665 -4.107806 2.220508
H -2.499459 1.932647 -4.478627
H 1.436143 -5.454207 0.101573
H 3.736178 0.467739 2.742210
H 4.736122 1.970794 2.582715
H 3.200361 1.988996 3.501169


