%chk=000001289.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001289

0 1
 O   -1.230800     -0.2538000       1.578900    
 O   -1.696200      -2.544900      -1.091600    
 O   0.9703000       2.123100      -2.109100    
 O   -3.569400      -4.191700     -4.0199999E-02
 N  -0.6090000      0.5702000     -0.4971000    
 N    2.440700       2.349100     -0.3255000    
 N   -3.861600      -2.855100     -0.3425000    
 C   -2.981300      0.2447000      5.1000002E-03
 C   -3.403800       1.690500     -0.3252000    
 C   -3.341400       2.676700      0.8606000    
 C   -3.222000     -0.6940000      -1.190700    
 C   -1.523800      0.1554000      0.4558000    
 C   0.8155000      0.5631000     -0.2604000    
 C   -1.914200       2.901100       1.361900    
 C   -4.213900       2.158100       2.007500    
 C    1.471300     -0.7463000     -0.7136000    
 C   -2.829300      -2.122700     -0.8707000    
 C    1.405500       1.743300      -1.024000    
 C    2.805300     -0.9907000     -5.1399998E-02
 C    3.959800     -0.5130000     -0.6518000    
 C    2.852800      -1.688800       1.145000    
 C    5.192900     -0.7392000     -4.0100001E-02
 C    4.085800      -1.915000       1.756800    
 C    3.141000       3.520100     -0.8020000    
 C    5.255900      -1.440100       1.164100    
 H   -3.591400     -0.1355000      0.8332000    
 H   -2.795800       2.089000      -1.147100    
 H   -4.436500       1.673200     -0.6989000    
 H   -3.744100       3.636900      0.5148000    
 H   -4.280800     -0.6678000      -1.477500    
 H   -2.655000     -0.3802000      -2.075000    
 H   0.9673000      0.7124000      0.8161000    
 H   -1.552900       2.119600       2.031200    
 H   -1.212100       3.049100      0.5364000    
 H   -1.891000       3.822800       1.956900    
 H   -4.319700       2.933600       2.774500    
 H   -5.219800       1.905500       1.655800    
 H   -3.786500       1.279500       2.500400    
 H  -0.9387000      0.8733000      -1.408400    
 H    1.590200     -0.7666000      -1.805400    
 H   0.8141000      -1.595100     -0.4830000    
 H    3.924200      2.7799999E-02  -1.593000    
 H    1.946800      -2.060100       1.615600    
 H    2.714400       1.981300      0.5807000    
 H   -4.775200      -2.505300     -7.6399997E-02
 H    6.104000     -0.3707000     -0.5022000    
 H    4.134800      -2.460100       2.694800    
 H    2.799200       4.381000     -0.2224000    
 H    2.948500       3.689400      -1.864000    
 H    4.210500       3.370600     -0.6358000    
 H    6.215900      -1.616300       1.640400    
 H   -4.083200      -4.301700      0.7777000    


%chk=000001289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001289

0 1
O -1.043309 -0.425967 1.454441
O -1.509005 -2.358717 -1.310834
O 0.723971 2.704050 -1.785901
O -3.076142 -4.319516 -0.465972
N -0.608308 0.860285 -0.421785
N 2.786965 2.193837 -0.821279
N -3.590621 -2.988837 -0.641817
C -2.965480 0.284858 0.091629
C -3.528458 1.717167 -0.137707
C -3.625088 2.645531 1.110340
C -3.269723 -0.602005 -1.164421
C -1.465283 0.221537 0.438831
C 0.838389 0.800051 -0.229819
C -2.251000 3.057986 1.692829
C -4.533683 2.048046 2.212667
C 1.434969 -0.585768 -0.686906
C -2.718405 -2.014313 -1.055101
C 1.441732 1.987561 -1.012145
C 2.699153 -0.956729 0.071569
C 3.967125 -1.018256 -0.562868
C 2.617781 -1.249170 1.461569
C 5.128833 -1.361975 0.169647
C 3.775614 -1.590424 2.193427
C 3.530770 3.256555 -1.509635
C 5.036620 -1.645815 1.551252
H -3.472033 -0.171024 0.961309
H -2.937778 2.232100 -0.923797
H -4.553120 1.607408 -0.551861
H -4.117107 3.572290 0.744005
H -4.366442 -0.626069 -1.317102
H -2.819885 -0.146315 -2.065203
H 1.048701 0.912107 0.851785
H -1.731571 2.198518 2.152973
H -1.590569 3.481110 0.913264
H -2.385241 3.824865 2.478602
H -4.719211 2.794586 3.006852
H -5.515069 1.736801 1.805928
H -4.063551 1.169948 2.693031
H -0.920941 1.473242 -1.184270
H 1.610961 -0.568053 -1.777998
H 0.647370 -1.336819 -0.500391
H 4.040316 -0.814375 -1.638772
H 1.635790 -1.222078 1.951607
H 3.297930 1.537829 -0.223954
H -4.557004 -2.906478 -0.332352
H 6.098989 -1.413862 -0.337937
H 3.695650 -1.821346 3.261837
H 3.966269 3.969091 -0.785501
H 2.823887 3.795048 -2.160181
H 4.343309 2.835820 -2.129839
H 5.933984 -1.914914 2.119767
H -2.103755 -4.173704 -0.714609


