%chk=000050415.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050415

0 1
 O   -3.317900      -2.130300     -0.2392000    
 O    3.004400     -0.7469000     -0.3769000    
 O    2.025100     -0.1146000       1.601900    
 N    1.222900       2.231100      0.3356000    
 N    1.948100       1.230500     -0.2876000    
 C  -3.3199999E-02   2.455000     -0.3667000    
 C  -0.9153000       1.223000     -0.3325000    
 C  -0.7431000       3.677200      0.2203000    
 C   -1.262400      0.6103000      -1.522400    
 C   -1.352000      0.7423000      0.8883000    
 C   -2.074900     -0.5230000      -1.490600    
 C   -2.164500     -0.3912000      0.9200000    
 C   -2.525900      -1.023800     -0.2693000    
 C    2.298300      0.1046000      0.4257000    
 C    3.436500      -1.967300      0.2350000    
 C   -3.743800      -2.589300       1.042800    
 C    4.197600      -2.787700     -0.7844000    
 H   0.1918000       2.707300      -1.413100    
 H  -0.9543000       3.564300       1.289800    
 H   -1.697500       3.855300     -0.2883000    
 H  -0.1303000       4.577900      9.9200003E-02
 H    1.794000       3.075000      0.3016000    
 H  -0.9171000      0.9900000      -2.479400    
 H   -1.075800       1.219500       1.823800    
 H   -2.352700      -1.011800      -2.420400    
 H   -2.477900     -0.7278000       1.902300    
 H    2.221400       1.353400      -1.257300    
 H    4.087000      -1.738300       1.086300    
 H    2.563000      -2.528900      0.5846000    
 H   -4.372200      -1.847500       1.547400    
 H   -2.895200      -2.903000       1.660100    
 H   -4.364900      -3.476000      0.8788000    
 H    4.543100      -3.729600     -0.3494000    
 H    3.565300      -3.008900      -1.650500    
 H    5.064000      -2.231400      -1.157300    


%chk=000050415-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050415

0 1
O -3.840048 -1.890894 -0.222114
O 3.218602 -0.748429 -0.252175
O 2.075882 -0.133167 1.720244
N 1.229064 2.205907 0.231486
N 2.086307 1.201503 -0.244418
C -0.018876 2.422919 -0.543262
C -0.972537 1.231921 -0.437007
C -0.669135 3.718995 0.001740
C -1.855686 0.937567 -1.507841
C -1.046541 0.447511 0.736531
C -2.799814 -0.101347 -1.408825
C -1.984372 -0.603454 0.851084
C -2.867685 -0.874766 -0.223093
C 2.404291 0.097048 0.534429
C 3.674552 -1.990389 0.429076
C -3.942500 -2.720415 0.979599
C 4.540636 -2.746866 -0.574124
H 0.207334 2.584590 -1.627921
H -0.891264 3.605895 1.077233
H -1.615251 3.919783 -0.527644
H -0.005005 4.595087 -0.135813
H 1.733650 3.074621 0.450568
H -1.804718 1.526627 -2.433066
H -0.340343 0.642439 1.550815
H -3.484184 -0.335808 -2.230023
H -2.007019 -1.200047 1.768254
H 2.419808 1.200838 -1.216484
H 4.233467 -1.709479 1.340447
H 2.785522 -2.570664 0.736780
H -4.202222 -2.113258 1.868881
H -3.000842 -3.271133 1.171350
H -4.752898 -3.434010 0.768513
H 4.907427 -3.685232 -0.119311
H 3.962728 -3.001895 -1.479090
H 5.413272 -2.142594 -0.876616


