%chk=000045960.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045960

1 1
 O    1.834500     -0.3689000     -0.8052000    
 O    2.186200     -0.8298000       1.434800    
 N   -3.677100     -0.4522000      0.1727000    
 N    4.025200     -0.6040000      2.8800000E-02
 C   -2.170100     -0.4244000     -9.3500003E-02
 C  -0.1721000      0.7952000     -0.2025000    
 C   -3.954800      -1.418300       1.320800    
 C   -4.392200     -0.9001000      -1.099000    
 C   -4.219800      0.9207000      0.5643000    
 C   0.5697000       2.084000     -6.9300003E-02
 C   -1.545500      0.7702000      4.0399998E-02
 C   -1.587500      -1.597000     -0.4408000    
 C   0.4935000     -0.3759000     -0.5645000    
 C  -0.2142000      -1.571900     -0.6837000    
 C   0.5186000       2.645700       1.363600    
 C   7.9800002E-02   3.149600      -1.067200    
 C    2.656000     -0.6197000      0.3171000    
 C    4.998000     -0.8461000       1.084600    
 C    4.572000     -0.3573000      -1.301500    
 H    1.631800       1.936600     -0.2968000    
 H   -2.019800       1.699900      0.3179000    
 H   -3.364300      -1.109800       2.189600    
 H   -5.022900      -1.368000       1.555900    
 H   -3.705900      -2.439300       1.019200    
 H   -4.125500      -1.934500      -1.332600    
 H   -5.470800     -0.8421000     -0.9204000    
 H   -4.109700     -0.2277000      -1.915500    
 H   -4.075900       1.624200     -0.2625000    
 H   -5.296600      0.8149000      0.7395000    
 H   -3.751900       1.249500       1.498300    
 H   -2.114500      -2.537800     -0.5414000    
 H   0.2980000      -2.487800     -0.9662000    
 H   0.8842000       1.906200       2.084800    
 H    1.149700       3.537100       1.448300    
 H  -0.4970000       2.929500       1.659400    
 H  -0.9538000       3.454200     -0.8709000    
 H   0.7062000       4.046400      -1.008600    
 H   0.1293000       2.772000      -2.094600    
 H    4.513500      -1.020900       2.048500    
 H    5.651600      2.7000001E-02   1.168000    
 H    5.592500      -1.725400      0.8206000    
 H    5.220800      0.5221000      -1.255100    
 H    3.791000     -0.1810000      -2.043600    
 H    5.159000      -1.228900      -1.605300    


%chk=000045960-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045960

1 1
O 1.892880 -0.524525 -0.771240
O 2.319295 -0.322898 1.550445
N -3.774562 -0.451728 0.124657
N 4.082119 -0.534204 -0.000368
C -2.260656 -0.422642 -0.118898
C -0.113568 0.778137 -0.140421
C -4.090106 -1.449592 1.249223
C -4.497182 -0.875528 -1.162077
C -4.333181 0.907408 0.541634
C 0.662542 2.084298 0.028601
C -1.518802 0.758270 0.060971
C -1.634037 -1.625518 -0.517706
C 0.506836 -0.443520 -0.513314
C -0.241772 -1.624058 -0.710699
C 0.622817 2.571010 1.502400
C 0.143985 3.177712 -0.944684
C 2.776627 -0.446112 0.388685
C 5.130613 -0.501978 1.040120
C 4.538593 -0.684034 -1.395245
H 1.717377 1.886499 -0.232036
H -1.994141 1.695802 0.359460
H -3.549292 -1.136376 2.154159
H -5.176779 -1.453302 1.428671
H -3.754783 -2.452230 0.952327
H -4.155013 -1.874592 -1.462267
H -5.582118 -0.891641 -0.973492
H -4.253387 -0.151280 -1.953033
H -4.143865 1.642318 -0.253626
H -5.417738 0.797572 0.692670
H -3.860630 1.227041 1.481237
H -2.186189 -2.558327 -0.671107
H 0.281478 -2.537536 -1.006176
H 1.023693 1.797225 2.178072
H 1.233666 3.484490 1.613722
H -0.408198 2.822137 1.817945
H -0.902895 3.460657 -0.723573
H 0.757293 4.090158 -0.841543
H 0.196971 2.846769 -1.997302
H 4.660405 -0.397004 2.028422
H 5.811284 0.351651 0.867423
H 5.719595 -1.437075 1.015107
H 5.214068 0.150217 -1.660874
H 3.681208 -0.684412 -2.079371
H 5.094746 -1.633059 -1.510502


