%chk=000173262.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173262

0 1
 O    4.610200     -0.1022000      7.9999998E-04
 O    3.717100       1.988000     -1.1000000E-03
 N   -1.311400      -1.782000     -1.9999999E-04
 N    2.341800      -1.272100     -3.0000001E-04
 C  -9.6100003E-02  8.8600002E-02  5.0000002E-04
 C   -1.482600      0.4423000      3.0000001E-04
 C   -2.215400     -0.7454000       0.000000    
 C  -2.3600001E-02  -1.304000     -9.9999997E-05
 C    1.101900      0.8199000      1.0000000E-03
 C   -2.182900       1.666800       0.000000    
 C   -3.614800     -0.7713000       0.000000    
 C    1.189200      -1.980800     -6.9999998E-04
 C    2.275800      7.8400001E-02  6.9999998E-04
 C   -3.582300       1.656800     -3.0000001E-04
 C   -4.285500      0.4546000       0.000000    
 C    3.558500      0.7625000     -3.9999999E-04
 H   -1.561200      -2.761200     -5.0000002E-04
 H    1.097500       1.904300      1.3000000E-03
 H   -1.648800       2.612700     -9.9999997E-05
 H   -4.163300      -1.707400     -9.9999997E-05
 H    1.270800      -3.059800     -1.3000000E-03
 H   -4.124700       2.598500     -3.9999999E-04
 H   -5.372500      0.4687000     -9.9999997E-05
 H    5.470300      0.3696000      5.0000002E-04


%chk=000173262-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173262

0 1
O 4.747457 -0.026680 0.000323
O 3.690411 2.036089 -0.000140
N -1.357133 -1.848113 -0.000310
N 2.364721 -1.354631 -0.000029
C -0.095764 0.079647 0.000027
C -1.503857 0.457134 0.000022
C -2.260082 -0.766023 -0.000199
C -0.048330 -1.360548 -0.000161
C 1.125180 0.780250 0.000173
C -2.184398 1.697162 0.000177
C -3.670202 -0.773927 -0.000275
C 1.194360 -2.037185 -0.000187
C 2.323916 0.021913 0.000160
C -3.594341 1.698220 0.000104
C -4.325620 0.476089 -0.000119
C 3.610980 0.778743 0.000360
H -1.619307 -2.831566 -0.000448
H 1.189649 1.871967 0.000309
H -1.627311 2.640098 0.000344
H -4.241574 -1.708156 -0.000444
H 1.264058 -3.131244 -0.000362
H -4.138479 2.648287 0.000218
H -5.420718 0.506654 -0.000174
H 5.544387 0.571319 0.000130


