%chk=000045396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045396

0 1
 O    6.760100      0.3411000      0.9409000    
 O  -0.3786000      0.9871000     -0.4451000    
 N    4.320200      0.4614000     -0.5066000    
 N    3.087200     -0.1550000     -0.9037000    
 C    4.346600      0.5976000      0.9562000    
 C    5.432000     -0.3853000     -0.9568000    
 C    5.691500       1.178400       1.386200    
 C    6.752400      0.2173000     -0.4825000    
 C    1.996500      0.7048000     -0.4741000    
 C   -1.661700      0.4993000     -0.8124000    
 C   0.6568000      0.1255000     -0.8995000    
 C   -1.860700     -0.9309000     -0.3493000    
 C   -2.741800       1.437300     -0.3148000    
 C   -2.001300      -1.930700      -1.294000    
 C   -1.896400      -1.199700       1.006400    
 C   -3.924000       1.542100      -1.026000    
 C   -2.521800       2.167400      0.8396000    
 C   -2.223600      -3.538300      0.4955000    
 C   -2.184500      -3.246100     -0.8677000    
 C   -2.079500      -2.515100       1.432600    
 C   -4.918800       2.405700     -0.5679000    
 C   -3.516800       3.031000       1.297700    
 C   -4.715300       3.150100      0.5939000    
 C   -2.418400      -4.944900      0.9512000    
 H    3.610800       1.309800       1.339300    
 H    4.190900     -0.3729000       1.446300    
 H    5.331900      -1.402400     -0.5539000    
 H    5.445300     -0.4537000      -2.051200    
 H    5.744500       1.229700       2.478600    
 H    5.838100       2.194300      0.9991000    
 H    6.935700       1.199100     -0.9360000    
 H    7.583200     -0.4377000     -0.7636000    
 H    3.065600     -0.2406000      -1.920000    
 H    1.911300      0.7949000      0.6133000    
 H    2.096800       1.720900     -0.8782000    
 H   -1.697000      0.5379000      -1.911000    
 H   0.6123000      4.1900001E-02  -1.992600    
 H   0.5778000     -0.8746000     -0.4606000    
 H   -1.971500      -1.715400      -2.358000    
 H   -1.769700     -0.4229000       1.753100    
 H   -4.092500      0.9655000      -1.930800    
 H   -1.600300       2.088800       1.408500    
 H   -2.293400      -4.034800      -1.607300    
 H   -2.102400      -2.731200       2.497500    
 H   -5.852200       2.498100      -1.115500    
 H   -3.359300       3.609800       2.203200    
 H   -5.490100       3.822100      0.9510000    
 H   -3.023700      -5.511800      0.2356000    
 H   -2.942500      -4.980000       1.912300    
 H   -1.449200      -5.441400       1.061800    


%chk=000045396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045396

0 1
O 7.273802 0.547989 0.402740
O -0.383652 0.816989 -0.402698
N 4.418532 0.236942 0.007734
N 3.213391 -0.043976 -0.742689
C 5.329588 -0.936024 -0.041082
C 5.127933 1.471005 -0.443327
C 6.555448 -0.660926 0.846404
C 6.365072 1.703682 0.444196
C 2.018549 0.673192 -0.240212
C -1.677169 0.291030 -0.888425
C 0.763034 -0.007199 -0.803355
C -2.022588 -1.042197 -0.223874
C -2.727836 1.382042 -0.657494
C -2.129479 -2.228409 -0.984182
C -2.210860 -1.115672 1.180302
C -4.098174 1.086814 -0.873107
C -2.356933 2.694099 -0.277765
C -2.616854 -3.543498 1.040637
C -2.427016 -3.463305 -0.360493
C -2.500644 -2.346063 1.800013
C -5.081311 2.087847 -0.717369
C -3.343257 3.694282 -0.113314
C -4.707119 3.397904 -0.335591
C -2.934455 -4.864164 1.720935
H 4.772758 -1.815746 0.323546
H 5.671769 -1.145145 -1.084844
H 5.449789 1.381480 -1.512150
H 4.439769 2.332127 -0.355797
H 7.287429 -1.482329 0.779135
H 6.229424 -0.535618 1.901193
H 6.036506 1.887338 1.489861
H 6.956914 2.561750 0.085470
H 3.352512 0.096893 -1.764723
H 2.026469 0.592340 0.858761
H 1.988787 1.756433 -0.500625
H -1.589072 0.113522 -1.987155
H 0.808428 -0.068848 -1.916018
H 0.677419 -1.035982 -0.403087
H -1.979086 -2.191526 -2.071184
H -2.124081 -0.200741 1.777259
H -4.395560 0.068609 -1.151588
H -1.299347 2.913561 -0.110379
H -2.507558 -4.373134 -0.967600
H -2.641962 -2.385813 2.887524
H -6.136554 1.845863 -0.888194
H -3.045197 4.705815 0.186178
H -5.469636 4.175203 -0.210775
H -2.968853 -5.695304 0.995811
H -3.912896 -4.825231 2.236031
H -2.175674 -5.114399 2.486066


