%chk=000133466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133466

0 1
 O   -6.171000     -0.1571000     -0.4886000    
 O   -4.691300      -1.657100      0.4006000    
 N    4.259800      0.9956000     -0.1266000    
 N   0.1347000       2.882600     -0.2782000    
 N    1.376400      0.6318000      0.9067000    
 N   -2.086800     -0.5752000      0.5541000    
 N   -4.028600      0.4890000     -0.2705000    
 N  -0.1397000      -1.623700       1.401800    
 C    2.094500       1.654100      0.5569000    
 C    3.555600       1.665100      0.9249000    
 C    1.577800       2.821300     -0.2558000    
 C  -0.6020000       1.741200     -1.6100001E-02
 C   1.7800000E-02  0.6278000      0.5589000    
 C    4.278700     -0.4086000     -0.2314000    
 C   -1.971200       1.688800     -0.2818000    
 C  -0.7641000     -0.4921000      0.8179000    
 C    4.970500       1.798600      -1.131400    
 C   -2.658000      0.5213000      1.3000000E-02
 C    4.583800      -1.015300      -1.451200    
 C    3.992300      -1.197600      0.8842000    
 C    4.602400      -2.406200      -1.554900    
 C    4.011000      -2.588500      0.7805000    
 C    4.316200      -3.192800     -0.4391000    
 C   -4.928000     -0.5512000     -7.0000000E-02
 C   -7.217900      -1.124700     -0.3485000    
 C   -8.512900     -0.5270000     -0.8557000    
 H    3.708200       1.235300       1.918700    
 H    3.877800       2.708900       1.020700    
 H    1.971600       3.754300      0.1588000    
 H    1.956500       2.716700      -1.278200    
 H  -0.3184000       3.673100     -0.7208000    
 H   -2.478300       2.546400     -0.7157000    
 H    4.426000       1.799500      -2.081600    
 H    5.988700       1.425400      -1.288400    
 H    5.062900       2.842600     -0.8122000    
 H    4.800400     -0.4432000      -2.348200    
 H    3.765400     -0.7861000       1.861200    
 H   -4.421000       1.335100     -0.6767000    
 H   0.8472000      -1.768800       1.227700    
 H  -0.7227000      -2.432900       1.575700    
 H    4.837000      -2.877400      -2.504900    
 H    3.790900      -3.201700       1.649600    
 H    4.330600      -4.275800     -0.5199000    
 H   -6.969100      -2.018200     -0.9319000    
 H   -7.324200      -1.396600      0.7076000    
 H   -9.336000      -1.241100     -0.7631000    
 H   -8.765400      0.3784000     -0.2939000    
 H   -8.416200     -0.2327000      -1.905900    


%chk=000133466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133466

0 1
O -6.550405 -0.036755 -0.439561
O -5.439216 -1.096882 1.350559
N 4.426468 1.078652 0.051836
N 0.220963 1.848847 -1.085474
N 1.047093 0.483259 1.237779
N -2.579792 -0.378291 1.191039
N -4.337604 0.296044 -0.262735
N -0.864753 -1.018356 2.649970
C 1.949110 1.091537 0.503839
C 3.360345 1.265863 1.051735
C 1.668719 1.614279 -0.909843
C -0.726821 1.116282 -0.382492
C -0.282512 0.399861 0.771506
C 4.733618 -0.210010 -0.428217
C -2.099944 1.088216 -0.726534
C -1.252829 -0.329255 1.526632
C 5.270736 2.216591 -0.331060
C -2.969293 0.321161 0.098356
C 5.820817 -0.414919 -1.334007
C 3.971983 -1.353578 -0.026642
C 6.127354 -1.706164 -1.811307
C 4.294529 -2.636076 -0.513886
C 5.371594 -2.830846 -1.409663
C -5.406227 -0.364035 0.343822
C -7.823330 -0.641292 0.033993
C -8.916956 -0.166238 -0.918566
H 3.474737 0.576067 1.911581
H 3.458951 2.293282 1.453778
H 2.222471 2.558015 -1.078969
H 2.064504 0.876880 -1.647022
H -0.081954 2.389650 -1.894827
H -2.476622 1.628873 -1.601966
H 5.267949 2.382817 -1.427912
H 6.325800 2.078773 -0.014316
H 4.889802 3.132825 0.148465
H 6.433033 0.428656 -1.665827
H 3.125040 -1.246486 0.656641
H -4.602887 0.835597 -1.088938
H 0.108328 -0.964931 2.944304
H -1.572168 -1.508442 3.191442
H 6.968857 -1.830504 -2.503283
H 3.691798 -3.492180 -0.188499
H 5.614436 -3.830812 -1.783481
H -7.714630 -1.741448 0.032687
H -8.002913 -0.316912 1.075408
H -9.890902 -0.588590 -0.610687
H -8.997066 0.934464 -0.909205
H -8.708309 -0.492188 -1.952152


