%chk=000091245.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091245

0 1
 O   4.0700000E-02  -2.082600      0.4698000    
 N   -4.005100      0.5558000     -0.3165000    
 C   -1.673600     -0.1137000     -0.6903000    
 C   -2.617300      0.8486000      5.3700000E-02
 C  -0.2114000      0.1336000     -0.4066000    
 C   0.5665000     -0.8650000      0.1584000    
 C   -2.490600      0.7361000       1.573100    
 C   0.3272000       1.371900     -0.7225000    
 C    2.470700      0.6212000      0.1015000    
 C    1.915800     -0.6199000      0.4140000    
 C    1.676400       1.617100     -0.4667000    
 C    3.913300      0.8833000      0.3739000    
 C   8.7600000E-02  -3.086600     -0.5420000    
 H   -1.821500     -1.4800000E-02  -1.774800    
 H   -1.963000      -1.143200     -0.4497000    
 H   -2.408100       1.884900     -0.2355000    
 H   -1.492900       1.031700       1.913300    
 H   -2.675200     -0.2883000       1.915900    
 H   -3.208500       1.393800       2.076800    
 H  -0.2745000       2.153400      -1.177000    
 H    2.531300      -1.399900      0.8560000    
 H    2.098100       2.586400     -0.7189000    
 H   -4.124100      0.6786000      -1.321200    
 H   -4.629100       1.226600      0.1304000    
 H    4.257100      0.3244000       1.250800    
 H    4.518000      0.5890000     -0.4895000    
 H    4.090700       1.944200      0.5810000    
 H    1.123400      -3.390200     -0.7233000    
 H  -0.3651000      -2.732500      -1.473600    
 H  -0.4743000      -3.955400     -0.1884000    


%chk=000091245-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091245

0 1
O -0.320238 -1.921597 -0.188407
N -4.110711 0.934309 -0.314561
C -1.819240 0.347085 -0.994848
C -2.705720 0.923066 0.151295
C -0.330799 0.421182 -0.701656
C 0.414447 -0.722801 -0.286176
C -2.611513 0.082976 1.439121
C 0.373855 1.640256 -0.814717
C 2.483592 0.602778 -0.114657
C 1.796920 -0.633997 0.000441
C 1.755453 1.742082 -0.527270
C 3.969435 0.684315 0.196761
C 0.397118 -3.132405 0.207537
H -2.035571 0.929205 -1.914697
H -2.137249 -0.692621 -1.176409
H -2.320621 1.948837 0.382073
H -1.571051 0.043457 1.804667
H -2.955242 -0.947062 1.239950
H -3.240543 0.517352 2.240658
H -0.175379 2.530819 -1.145804
H 2.358010 -1.520720 0.315214
H 2.266847 2.706149 -0.628691
H -4.266343 1.479495 -1.169325
H -4.792080 1.161111 0.417161
H 4.181427 0.377555 1.238657
H 4.558358 0.020344 -0.464329
H 4.349649 1.711794 0.065238
H 0.830835 -3.033516 1.222166
H 1.200423 -3.381744 -0.513574
H -0.361569 -3.929205 0.206283


