%chk=000084385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084385

1 1
 O   -2.796500      -1.406200      0.5915000    
 O   -2.342000       3.685000      -2.917400    
 O  -0.2993000       2.700200      -3.053000    
 O   -6.284400      -2.936500      9.2200004E-02
 O   -5.013500      -1.976200      -1.529400    
 N  -0.5453000       1.528100       1.059600    
 N   0.9840000       1.265000       2.850500    
 C  -0.6054000       2.783300       1.918600    
 C   0.6196000      0.8266000       1.684800    
 C  -0.3011000       1.874300     -0.3930000    
 C   -1.802900      0.6910000       1.204900    
 C   3.5500001E-02   2.330100       3.211700    
 C    1.353000     -0.2834000      0.9993000    
 C   -1.519200       2.569400     -0.9724000    
 C   -1.608900     -0.6317000      0.4900000    
 C    2.833100      5.1100001E-02  0.8398000    
 C    3.660500      -1.002100      9.3000002E-02
 C    5.142600     -0.6410000     -2.8200001E-02
 C   -1.299400       2.984800      -2.406400    
 C    5.922800      -1.740300     -0.7529000    
 C   -2.660300      -2.658400     -6.6299997E-02
 C    7.409400      -1.397600     -0.8468000    
 C   -3.953300      -3.442200      7.2800003E-02
 C    8.182500      -2.471900      -1.594900    
 C   -5.111800      -2.701600     -0.5482000    
 H   -1.639600       3.123200       2.028400    
 H   2.4000001E-03   3.561200       1.442300    
 H   0.5825000       2.524500     -0.4339000    
 H  -5.4900002E-02  0.9806000     -0.9695000    
 H   -1.958300      0.5048000       2.275900    
 H   -2.684200       1.246600      0.8736000    
 H  -0.7075000       1.934200       3.913000    
 H   0.5562000       3.158700       3.701500    
 H    1.263500      -1.181300       1.622300    
 H   0.9488000     -0.5178000      1.5300000E-02
 H   -1.771000       3.471300     -0.4054000    
 H   -2.388600       1.907200      -1.009300    
 H   -1.386000     -0.5118000     -0.5720000    
 H  -0.8440000      -1.234400      0.9750000    
 H    2.927100       1.010100      0.3132000    
 H    3.279500      0.2069000       1.830400    
 H    3.562900      -1.962300      0.6146000    
 H    3.238100      -1.142100     -0.9097000    
 H    5.564100     -0.4892000      0.9728000    
 H    5.246200      0.3065000     -0.5705000    
 H    5.511500      -1.877400      -1.760400    
 H    5.799800      -2.691900     -0.2214000    
 H   -2.425000      -2.496100      -1.125000    
 H   -1.842000      -3.227600      0.3898000    
 H    7.538700     -0.4385000      -1.361800    
 H    7.829900      -1.284900      0.1592000    
 H   -2.190500       3.936600      -3.853300    
 H   -3.871700      -4.423500     -0.4040000    
 H   -4.171600      -3.581300       1.138100    
 H    7.807700      -2.585100      -2.617100    
 H    9.243100      -2.207100      -1.649500    
 H    8.099400      -3.439100      -1.088900    
 H   -7.031200      -2.454800     -0.3232000    


%chk=000084385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084385

1 1
O -2.866580 -1.981585 1.414682
O -2.078873 2.701052 -3.207452
O -0.009904 1.652165 -2.997642
O -6.081940 -0.906797 -1.329103
O -3.833084 -0.457053 -1.013008
N -0.585291 1.047523 1.220125
N 0.890123 1.155720 3.114435
C -0.849800 2.373966 1.957896
C 0.735126 0.540150 1.997479
C -0.317902 1.255242 -0.272610
C -1.756871 0.080910 1.513961
C -0.161323 2.180709 3.337821
C 1.645035 -0.485217 1.385985
C -1.520575 1.811600 -1.053233
C -1.613052 -1.360248 0.992015
C 2.943361 0.151158 0.791613
C 3.912876 -0.931190 0.267942
C 5.217629 -0.330118 -0.303921
C -1.093180 2.029602 -2.499186
C 6.193256 -1.406811 -0.832149
C -3.479448 -2.936205 0.464140
C 7.503713 -0.812235 -1.397552
C -4.871029 -2.437541 0.056832
C 8.469932 -1.893390 -1.927548
C -4.835299 -1.185503 -0.796143
H -1.931037 2.563231 2.016640
H -0.359360 3.176569 1.383959
H 0.544641 1.938946 -0.344387
H -0.006336 0.291011 -0.701656
H -1.879550 0.057209 2.610198
H -2.663844 0.512716 1.062584
H -0.849515 1.825944 4.126054
H 0.302469 3.111839 3.699967
H 1.940039 -1.185852 2.188725
H 1.136904 -1.075573 0.604228
H -1.884334 2.774631 -0.651466
H -2.378081 1.112732 -1.065152
H -1.517621 -1.376630 -0.110726
H -0.762021 -1.894744 1.456011
H 2.686834 0.844379 -0.033957
H 3.434376 0.749554 1.581743
H 4.163505 -1.630734 1.091749
H 3.412729 -1.533817 -0.518316
H 5.723475 0.267109 0.482419
H 4.971924 0.374619 -1.125258
H 5.692495 -2.002914 -1.623296
H 6.438901 -2.116167 -0.014700
H -2.831199 -3.072403 -0.422581
H -3.571617 -3.902786 0.989650
H 7.260204 -0.100461 -2.212393
H 8.007600 -0.220595 -0.606535
H -1.805031 2.828368 -4.156922
H -5.425078 -3.224668 -0.487666
H -5.467389 -2.217598 0.962983
H 8.003686 -2.479230 -2.741848
H 9.397869 -1.444332 -2.324859
H 8.754653 -2.600205 -1.125663
H -6.062192 -0.080050 -1.884608


