%chk=000129258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129258

0 1
 O    2.198200      -3.052500     -9.9999997E-05
 O  -0.5288000      -2.814200       0.000000    
 O   -1.715800       2.462400     -5.0000002E-04
 O   -4.232400       1.949000      1.0000000E-03
 N    1.060000       1.477900      3.9999999E-04
 N    1.218300       3.987300     -7.9999998E-04
 C   0.2369000     -0.5861000      6.0000003E-04
 C    1.659900     -0.6757000      3.9999999E-04
 C  -9.9299997E-02  0.7509000      6.0000003E-04
 C    2.148400      0.6344000      1.9999999E-04
 C  -0.7813000      -1.616700      5.0000002E-04
 C   -2.197500      -1.141400      1.9999999E-04
 C   -2.515000      0.2326000      3.9999999E-04
 C   -1.441200       1.268800      6.9999998E-04
 C    2.587400      -1.738600      3.0000001E-04
 C    3.516000      0.9324000     -3.0000001E-04
 C    4.413200     -0.1387000     -1.9999999E-04
 C    3.958000      -1.454900      1.9999999E-04
 C   -3.854000      0.6393000     -9.9999997E-05
 C   -3.226800      -2.089800     -6.0000003E-04
 C   -4.871300     -0.3154000     -7.9999998E-04
 C    5.881100      0.1341000     -7.9999998E-04
 C   -4.559200      -1.674200     -1.1000000E-03
 C    1.145200       2.829000     -3.0000001E-04
 H    3.869400       1.958900      1.3000000E-03
 H    4.677800      -2.271000      2.0999999E-03
 H   -3.014500      -3.155600     -7.9999998E-04
 H   -5.916700     -1.7200001E-02 -1.0000000E-03
 H   -5.356000      -2.412600     -1.5000000E-03
 H    6.105500       1.105000     -0.4556000    
 H    6.263300      0.1325000       1.024800    
 H    6.421300     -0.6225000     -0.5800000    
 H    2.988700      -3.619100     -5.0000002E-04
 H   -5.203000       2.008700      5.0000002E-04


%chk=000129258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129258

0 1
O 2.237371 -3.112733 0.027368
O -0.649392 -2.932176 0.038129
O -1.617209 2.531068 -0.028566
O -4.273268 2.004447 -0.028119
N 1.046699 1.467439 -0.016940
N 1.419894 3.990525 -0.044375
C 0.226798 -0.674123 0.005767
C 1.681613 -0.753787 0.006715
C -0.125829 0.682719 -0.008805
C 2.174614 0.593477 -0.007329
C -0.851609 -1.680269 0.019000
C -2.273008 -1.139440 0.009754
C -2.579418 0.263465 -0.006338
C -1.476277 1.265353 -0.015494
C 2.664026 -1.787984 0.016028
C 3.531513 0.957311 -0.011353
C 4.480814 -0.087677 -0.000368
C 4.032604 -1.440464 0.012582
C -3.955106 0.650593 -0.012862
C -3.304373 -2.102190 0.018477
C -4.981822 -0.330604 -0.003965
C 5.968077 0.211682 -0.000626
C -4.656342 -1.698027 0.011531
C 1.156205 2.823388 -0.031670
H 3.841557 2.006284 -0.022399
H 4.783930 -2.242290 0.019907
H -3.020460 -3.158097 0.030981
H -6.032719 -0.012732 -0.009244
H -5.455381 -2.446124 0.018234
H 6.162121 1.295804 -0.050236
H 6.453639 -0.176804 0.914269
H 6.471469 -0.262531 -0.863669
H 3.011972 -3.731310 0.034357
H -5.256903 2.132807 -0.031540


