%chk=000042573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042573

0 1
 O   0.5935000       2.330300     -3.4000000E-03
 O   6.2500000E-02  -2.280900      5.0900001E-02
 O   -4.403300       1.531300      0.5973000    
 O   -6.049000     -0.3513000     -0.3938000    
 N   0.3305000      2.4499999E-02  2.3600001E-02
 N   -4.656600     -0.5137000     -0.4357000    
 C    2.745200       3.380200     -3.4699999E-02
 C    1.922100      -3.790900      9.8000001E-03
 C    4.255200       3.163900     -7.6499999E-02
 C    3.442500      -3.922100     -3.1999999E-03
 C    1.988100       2.059700     -2.7600000E-02
 C    1.483900      -2.333300      2.4200000E-02
 C  -0.2464000       1.247200      2.3399999E-02
 C  -0.5087000      -1.035200      4.9600001E-02
 C    5.006100       4.484900     -0.1272000    
 C    3.876200      -5.379000      2.6000001E-02
 C   -2.446100      0.3442000      7.3899999E-02
 C   -1.615400       1.458900      4.7600001E-02
 C   -1.890100     -0.9303000      7.5099997E-02
 C   -3.890200      0.5116000      0.1005000    
 H    2.469100       3.964000      0.8523000    
 H    2.423300       3.976700     -0.8976000    
 H    1.504500      -4.302400      0.8861000    
 H    1.489600      -4.293400     -0.8645000    
 H    4.522300       2.566900     -0.9563000    
 H    4.575300       2.600200      0.8075000    
 H    3.869000      -3.404600      0.8641000    
 H    3.850100      -3.441900     -0.9003000    
 H    2.274600       1.482500      0.8606000    
 H    2.241600       1.488500     -0.9294000    
 H    1.861100      -1.832200     -0.8762000    
 H    1.891600      -1.837700      0.9142000    
 H    4.785300       5.095500      0.7542000    
 H    6.085600       4.306400     -0.1552000    
 H    4.733300       5.057400      -1.019400    
 H    3.491500      -5.920100     -0.8443000    
 H    4.968300      -5.449600      1.4600000E-02
 H    3.512800      -5.878600      0.9297000    
 H   -2.015000       2.468100      4.1999999E-02
 H   -2.489800      -1.833000      0.1180000    
 H   -4.323000      -1.387500     -0.8250000    
 H   -6.212600     -4.6500001E-02  -1.302400    


%chk=000042573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042573

0 1
O 0.612566 2.339735 -0.070804
O 0.118473 -2.370918 -0.019241
O -4.476992 1.594246 0.282969
O -6.110563 -0.306454 -0.514318
N 0.388170 -0.016988 -0.057900
N -4.696462 -0.540005 -0.477643
C 2.716561 3.530249 -0.062942
C 1.929388 -3.972886 0.029815
C 4.262213 3.463267 -0.051467
C 3.455509 -4.228466 0.034300
C 2.086588 2.137412 -0.059577
C 1.602574 -2.479915 -0.008077
C -0.190858 1.213398 -0.063320
C -0.431861 -1.099083 -0.040877
C 4.909682 4.864399 -0.053326
C 3.798273 -5.732746 0.080214
C -2.420691 0.279564 -0.058041
C -1.590309 1.422072 -0.062458
C -1.844047 -1.015326 -0.035941
C -3.899121 0.501010 -0.064134
H 2.358229 4.092786 0.820509
H 2.370969 4.083073 -0.957585
H 1.470621 -4.422245 0.931567
H 1.468633 -4.468288 -0.846468
H 4.614823 2.891716 -0.934324
H 4.601843 2.900274 0.841900
H 3.914048 -3.718106 0.905747
H 3.909782 -3.773326 -0.869406
H 2.361566 1.556356 0.841175
H 2.373985 1.546033 -0.949711
H 2.004394 -1.986889 -0.913495
H 1.994827 -1.943897 0.876754
H 4.597750 5.446048 0.834231
H 6.012845 4.798520 -0.044540
H 4.611415 5.437589 -0.951040
H 3.375828 -6.262163 -0.794241
H 4.891149 -5.896716 0.079764
H 3.385030 -6.205774 0.990588
H -2.015495 2.426579 -0.058112
H -2.427841 -1.936036 0.032910
H -4.437130 -1.416119 -0.925943
H -6.147862 0.646724 -0.165012


