%chk=000047726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047726

0 1
 O    4.910300      0.6508000      6.9999998E-04
 O    4.428000      -1.490800      7.9999998E-04
 N   -3.779900      -2.193000      3.9999999E-04
 N    4.076800     -0.2866000      3.0000001E-04
 C  -0.7896000      -1.587100     -3.9999999E-04
 C   -1.939000     -0.6011000     -5.0000002E-04
 C   0.4100000     -0.6629000     -6.0000003E-04
 C   -1.452500      0.7256000     -3.9999999E-04
 C  -6.0000001E-03  0.6875000     -6.0000003E-04
 C   -3.295700     -0.8738000       0.000000    
 C    1.750500      -1.006500     -3.0000001E-04
 C   0.9270000       1.711100     -6.0000003E-04
 C   -2.330500       1.796600      5.0000002E-04
 C    2.690700      2.5599999E-02 -3.0000001E-04
 C   -4.180400      0.2060000      3.9999999E-04
 C    2.283100       1.370700     -3.0000001E-04
 C   -3.702700       1.528000      7.9999998E-04
 H  -0.8023000      -2.200600      0.9053000    
 H  -0.8023000      -2.200900     -0.9058000    
 H    2.030000      -2.055200     -9.9999997E-05
 H   0.6271000       2.753800     -6.0000003E-04
 H   -1.977000       2.822300      7.9999998E-04
 H    3.005100       2.184400     -9.9999997E-05
 H   -5.255000      3.7099998E-02  7.9999998E-04
 H   -4.411200       2.352400      1.3000000E-03
 H   -3.137000      -2.973200     -5.0000002E-04
 H   -4.776400      -2.365900      9.9999997E-05


%chk=000047726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047726

0 1
O 5.001336 0.698600 0.000352
O 4.496368 -1.526342 0.000235
N -3.830506 -2.199075 0.000116
N 4.152436 -0.277957 -0.000431
C -0.798243 -1.604321 -0.000115
C -1.957238 -0.617160 0.000049
C 0.417067 -0.685332 -0.000144
C -1.477082 0.723656 0.000124
C -0.006320 0.682679 -0.000002
C -3.347346 -0.890110 0.000145
C 1.775696 -1.017705 -0.000280
C 0.948071 1.727496 0.000003
C -2.361890 1.826311 0.000308
C 2.712381 0.046575 -0.000284
C -4.238361 0.225969 0.000320
C 2.319156 1.407223 -0.000132
C -3.748198 1.551168 0.000404
H -0.804045 -2.266670 0.890242
H -0.804164 -2.266554 -0.890557
H 2.137249 -2.049420 -0.000388
H 0.632035 2.775489 0.000115
H -1.994018 2.856782 0.000370
H 3.091794 2.180249 -0.000131
H -5.321030 0.049305 0.000403
H -4.466302 2.378816 0.000545
H -3.198282 -2.993234 -0.000230
H -4.829463 -2.382137 0.000062


