%chk=000123438.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123438

0 1
 O  -0.3373000      1.4900000E-02  -2.088500    
 O    1.791500      -1.627900       1.429300    
 O    1.459000       2.004400       1.199200    
 O  -0.9627000      -2.252100      0.8139000    
 O   -1.402000       2.030600       1.069800    
 N    2.367500      0.1189000     -0.8348000    
 N   -2.644500     -0.1993000     -0.3458000    
 C    2.050700      0.2475000      -2.274400    
 C   -2.727800      1.5000000E-02  -1.801600    
 C    3.106500      -1.133300     -0.5704000    
 C    3.127000       1.301100     -0.3771000    
 C   -3.112400      -1.551700      1.9200001E-02
 C   -3.386600      0.8267000      0.4111000    
 C   0.8219000     -0.5679000      -2.682900    
 C   -1.537400     -0.6300000      -2.518400    
 C    3.118000      -1.518500      0.9157000    
 C    2.178700       2.428300      4.0899999E-02
 C   -2.324600      -2.094000       1.211600    
 C   -2.671400       2.180600      0.4345000    
 C    1.258100      -2.948400       1.328400    
 C   0.6562000       3.027600       1.786000    
 C  -0.1836000      -2.912900       1.809600    
 C  -0.6447000       3.240200       1.024800    
 H    2.915400     -4.2500000E-02  -2.884600    
 H    1.828800       1.294300      -2.516400    
 H   -2.694600       1.083200      -2.038400    
 H   -3.674100     -0.3689000      -2.202500    
 H    2.634200      -1.960100      -1.110900    
 H    4.136500      -1.061100     -0.9422000    
 H    3.739800       1.063000      0.4982000    
 H    3.820200       1.649000      -1.153400    
 H   -4.188400      -1.554700      0.2337000    
 H   -2.961600      -2.253600     -0.8097000    
 H   -4.401600      0.9450000      1.1800000E-02
 H   -3.485300      0.5058000       1.455600    
 H   0.7207000     -0.5271000      -3.774000    
 H   0.9028000      -1.618400      -2.386300    
 H   -1.473800      -1.705400      -2.322100    
 H   -1.650200     -0.4848000      -3.599200    
 H    3.667100      -2.457500       1.058900    
 H    3.635700     -0.7666000       1.517600    
 H    2.772900       3.315400      0.2893000    
 H    1.485800       2.689400     -0.7642000    
 H   -2.381300      -1.425300       2.077300    
 H   -2.735900      -3.069400       1.496800    
 H   -2.543800       2.593800     -0.5709000    
 H   -3.272400       2.890000       1.015800    
 H    1.845700      -3.616800       1.966700    
 H    1.306600      -3.290600      0.2892000    
 H    1.226400       3.959800       1.864300    
 H   0.4263000       2.690500       2.802500    
 H  -0.5597000      -3.933400       1.937300    
 H  -0.2616000      -2.366400       2.756200    
 H   -1.216700       4.046000       1.498200    
 H  -0.4541000       3.503800     -2.0099999E-02


%chk=000123438-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123438

0 1
O -0.606030 -0.180414 -2.444421
O 1.278609 -1.633622 1.240812
O 1.421037 1.798188 1.459989
O -1.529233 -2.717583 0.806286
O -1.692053 2.091052 1.366131
N 2.145649 0.434900 -1.048725
N -3.019176 -0.205091 -0.557213
C 1.766717 0.524517 -2.474365
C -2.838999 -0.995240 -1.770692
C 2.813421 -0.809443 -0.623890
C 2.779470 1.664898 -0.521533
C -3.117650 -0.853583 0.750639
C -2.855262 1.246612 -0.621399
C 0.728983 -0.503694 -2.952024
C -1.403729 -1.394088 -2.173992
C 2.615223 -1.157894 0.870647
C 1.830432 2.565855 0.285542
C -1.820495 -1.385497 1.399295
C -1.537283 1.848957 -0.090134
C 0.969021 -2.991426 0.795435
C 0.573800 2.494079 2.430110
C -0.379691 -3.398696 1.401036
C -0.756044 3.071014 1.907727
H 2.657728 0.434511 -3.154839
H 1.336878 1.528863 -2.649530
H -3.289940 -0.447111 -2.624710
H -3.400091 -1.947191 -1.657506
H 2.441143 -1.647426 -1.239646
H 3.922547 -0.768068 -0.800590
H 3.622869 1.390450 0.141384
H 3.214540 2.275644 -1.346534
H -3.547229 -0.111500 1.452123
H -3.824466 -1.709697 0.692120
H -2.945291 1.537183 -1.685186
H -3.676894 1.751127 -0.065274
H 0.710350 -0.492126 -4.065071
H 1.020918 -1.529191 -2.640352
H -0.934718 -1.976259 -1.357694
H -1.455673 -2.023454 -3.093990
H 3.374750 -1.924796 1.154136
H 2.751430 -0.257197 1.490980
H 2.365640 3.496166 0.591328
H 0.956974 2.849811 -0.334502
H -0.966605 -0.703239 1.248058
H -1.982233 -1.521825 2.492726
H -0.683484 1.178966 -0.296478
H -1.364326 2.833113 -0.586468
H 1.758731 -3.701833 1.141331
H 0.908120 -3.054596 -0.313061
H 1.140390 3.330439 2.908038
H 0.365686 1.724080 3.192740
H -0.544416 -4.475557 1.206184
H -0.349510 -3.232342 2.499419
H -1.268127 3.527985 2.778023
H -0.572508 3.877469 1.162175


