%chk=000033441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033441

0 1
 O    4.572300       1.845400     -5.0999999E-02
 O   -4.679700       1.873700     -0.1772000    
 O    1.941000      -3.339500       1.418300    
 O    1.544800      -3.694300     -0.7198000    
 N    1.251600      -3.247400      0.3957000    
 C  -5.8800001E-02  -1.351200     -0.4579000    
 C  -5.9099998E-02  -2.555700      0.5208000    
 C    1.194500     -0.4857000     -0.3479000    
 C   -1.312000     -0.4772000     -0.3819000    
 C   -1.115200      -3.610800      0.2040000    
 C    1.428800      0.1922000      0.8278000    
 C   -1.923000     -0.3068000      0.8392000    
 C    2.046200     -0.4144000      -1.427700    
 C   -1.779900      0.1059000      -1.537000    
 C    2.573900      0.9823000      0.9289000    
 C   -3.065200      0.4908000      0.9090000    
 C    3.191400      0.3756000      -1.326600    
 C   -2.922100      0.9036000      -1.467100    
 C    3.455200       1.074000     -0.1483000    
 C   -3.564800       1.096000     -0.2442000    
 C    4.500100       2.988200      0.8002000    
 C   -5.639600       1.547600      0.8268000    
 C    5.435300       4.055400      0.2730000    
 C   -7.015900       1.952000      0.3432000    
 H  -6.9300003E-02  -1.787300      -1.469900    
 H  -0.1331000      -2.255000       1.571300    
 H  -0.9979000      -4.493800      0.8432000    
 H   -1.066700      -3.948200     -0.8379000    
 H   -2.123000      -3.218800      0.3739000    
 H   0.7683000      0.1197000       1.685000    
 H   -1.555500     -0.7411000       1.760700    
 H    1.851300     -0.9526000      -2.350100    
 H   -1.285300     -3.7099998E-02  -2.492700    
 H    2.757900       1.485100       1.873800    
 H   -3.517400      0.6402000       1.885000    
 H    3.874100      0.4436000      -2.169200    
 H   -3.306600       1.372600      -2.368700    
 H    3.490600       3.417600      0.8225000    
 H    4.799300       2.701200       1.814300    
 H   -5.396000       2.089600       1.747100    
 H   -5.666500      0.4698000       1.031000    
 H    5.413300       4.944700      0.9093000    
 H    6.462700       3.679400      0.2276000    
 H    5.156900       4.343200     -0.7463000    
 H   -7.777400       1.725600       1.094700    
 H   -7.046900       3.023900      0.1214000    
 H   -7.268200       1.428100     -0.5847000    


%chk=000033441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033441

0 1
O 4.494847 2.177478 -0.241377
O -5.129389 1.337927 -0.356791
O 2.243614 -3.330026 1.267701
O 1.774173 -3.691056 -0.933269
N 1.477806 -3.250615 0.239784
C -0.039166 -1.404765 -0.574524
C 0.091749 -2.600927 0.424576
C 1.135935 -0.417711 -0.449058
C -1.404699 -0.719258 -0.445494
C -0.963661 -3.702849 0.215658
C 1.190109 0.568724 0.563706
C -2.050558 -0.494998 0.794577
C 2.218495 -0.493303 -1.366692
C -2.043647 -0.233924 -1.618438
C 2.286729 1.451762 0.676162
C -3.289260 0.181733 0.875555
C 3.316450 0.379739 -1.273859
C -3.272694 0.445034 -1.560395
C 3.357473 1.356364 -0.248335
C -3.904736 0.656870 -0.308886
C 4.597285 3.205134 0.813111
C -5.829883 1.586970 0.919274
C 5.922728 3.929947 0.594974
C -7.114826 2.336805 0.579210
H 0.018397 -1.855467 -1.584489
H 0.115847 -2.248360 1.468897
H -0.813257 -4.535331 0.924919
H -0.904345 -4.098001 -0.812969
H -1.969966 -3.283723 0.374959
H 0.357708 0.673086 1.268268
H -1.600127 -0.855961 1.727282
H 2.204097 -1.252947 -2.156725
H -1.563972 -0.387244 -2.592689
H 2.291870 2.203442 1.470933
H -3.755668 0.328829 1.854080
H 4.152325 0.321602 -1.977467
H -3.762433 0.817163 -2.465361
H 3.738532 3.903697 0.733279
H 4.564149 2.716506 1.808954
H -5.177211 2.187077 1.586750
H -6.047946 0.618392 1.415280
H 6.057150 4.715825 1.360477
H 6.767436 3.223754 0.665074
H 5.948112 4.402995 -0.401473
H -7.683648 2.553022 1.501798
H -6.886507 3.291825 0.076300
H -7.751014 1.734865 -0.091647


%chk=000033441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033441

0 1
O 4.494847 2.177478 -0.241377
O -5.129389 1.337927 -0.356791
O 2.243614 -3.330026 1.267701
O 1.774173 -3.691056 -0.933269
N 1.477806 -3.250615 0.239784
C -0.039166 -1.404765 -0.574524
C 0.091749 -2.600927 0.424576
C 1.135935 -0.417711 -0.449058
C -1.404699 -0.719258 -0.445494
C -0.963661 -3.702849 0.215658
C 1.190109 0.568724 0.563706
C -2.050558 -0.494998 0.794577
C 2.218495 -0.493303 -1.366692
C -2.043647 -0.233924 -1.618438
C 2.286729 1.451762 0.676162
C -3.289260 0.181733 0.875555
C 3.316450 0.379739 -1.273859
C -3.272694 0.445034 -1.560395
C 3.357473 1.356364 -0.248335
C -3.904736 0.656870 -0.308886
C 4.597285 3.205134 0.813111
C -5.829883 1.586970 0.919274
C 5.922728 3.929947 0.594974
C -7.114826 2.336805 0.579210
H 0.018397 -1.855467 -1.584489
H 0.115847 -2.248360 1.468897
H -0.813257 -4.535331 0.924919
H -0.904345 -4.098001 -0.812969
H -1.969966 -3.283723 0.374959
H 0.357708 0.673086 1.268268
H -1.600127 -0.855961 1.727282
H 2.204097 -1.252947 -2.156725
H -1.563972 -0.387244 -2.592689
H 2.291870 2.203442 1.470933
H -3.755668 0.328829 1.854080
H 4.152325 0.321602 -1.977467
H -3.762433 0.817163 -2.465361
H 3.738532 3.903697 0.733279
H 4.564149 2.716506 1.808954
H -5.177211 2.187077 1.586750
H -6.047946 0.618392 1.415280
H 6.057150 4.715825 1.360477
H 6.767436 3.223754 0.665074
H 5.948112 4.402995 -0.401473
H -7.683648 2.553022 1.501798
H -6.886507 3.291825 0.076300
H -7.751014 1.734865 -0.091647


