%chk=000122165.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122165

0 1
 O    3.411900      0.6234000      -1.441100    
 O  -0.8010000      7.0100002E-02  -1.512100    
 O    2.345200       1.764100       1.756400    
 O   -4.125700      -1.843900      -1.845300    
 O   -4.339000      0.1676000     -0.7946000    
 O    3.471300      -1.298500       1.373200    
 N   -1.959500     -0.2924000      0.4584000    
 N    1.136400       1.303200     -0.1818000    
 N    3.148400      -2.102400     -0.7882000    
 C   -2.720300      -1.445400     -5.2000000E-03
 C  -0.1844000       1.391900      0.3697000    
 C   -3.283200      -2.074000       1.264200    
 C   -2.228500     -1.5699999E-02   1.867200    
 C   -3.425600     -0.8877000       2.214600    
 C  -0.8353000       2.780100      0.2401000    
 C    3.558000       1.354900     -0.2171000    
 C  -0.9997000      0.3302000     -0.3242000    
 C    4.198100      1.1000000E-02 -0.4108000    
 C    2.292500       1.497500      0.5615000    
 C  -0.5828000       3.435600      -1.136200    
 C  -0.3571000       3.679600       1.387500    
 C   -3.806800     -0.9275000     -0.8989000    
 C    3.572400      -1.187900      0.1569000    
 C   -1.296000       4.770000      -1.313600    
 C    2.507800      -3.352400     -0.4469000    
 C   0.9921000      -3.222200     -0.3570000    
 C   0.3110000      -4.529100      2.3399999E-02
 H   -2.063600      -2.117100     -0.5677000    
 H  -8.6300001E-02   1.132500       1.427400    
 H   -2.557400      -2.784400       1.678700    
 H   -4.230900      -2.599400       1.112800    
 H   -1.352300     -0.3233000       2.448500    
 H   -2.421100       1.046700       2.035000    
 H   -3.438000      -1.184800       3.267000    
 H   -4.357500     -0.3500000       2.003400    
 H   -1.921400       2.668500      0.3591000    
 H    4.202000       2.226100     -0.2326000    
 H    5.272900     -1.6100001E-02 -0.5435000    
 H    1.231600       1.101700      -1.173800    
 H   0.4899000       3.598000      -1.295100    
 H  -0.9249000       2.759800      -1.928400    
 H   0.6941000       3.959900       1.267300    
 H  -0.9460000       4.600900       1.437400    
 H  -0.4713000       3.180400       2.355800    
 H   -1.177300       5.122800      -2.343300    
 H  -0.8829000       5.539100     -0.6548000    
 H   -2.367300       4.673900      -1.110700    
 H    3.281600      -1.891800      -1.773100    
 H    2.782100      -4.075900      -1.221900    
 H    2.914100      -3.707700      0.5068000    
 H   -4.836900      -1.523900      -2.440200    
 H   0.5949000      -2.873900      -1.318200    
 H   0.7299000      -2.455500      0.3824000    
 H  -0.7735000      -4.391600      7.4699998E-02
 H   0.6566000      -4.879100       1.001200    
 H   0.5216000      -5.308500     -0.7157000    


%chk=000122165-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122165

0 1
O 3.724053 1.132665 -1.257951
O -0.275651 -0.192281 -1.195493
O 2.401098 1.052247 2.241293
O -3.820217 -1.859807 -2.026630
O -3.728978 0.362559 -1.347557
O 4.396227 -2.376527 -0.053325
N -1.746607 -0.316761 0.585153
N 1.404279 1.502388 0.163586
N 2.409966 -1.536110 -0.946888
C -2.515171 -1.398153 -0.063415
C 0.014710 1.450118 0.617372
C -3.370028 -1.980037 1.099874
C -2.271142 0.027971 1.938492
C -3.604264 -0.753916 2.018627
C -0.765630 2.781453 0.314817
C 3.801298 1.190103 0.251628
C -0.674204 0.247534 -0.060970
C 4.325204 -0.025134 -0.478425
C 2.473263 1.222930 0.986695
C -0.703477 3.167915 -1.189439
C -0.244839 3.907252 1.236755
C -3.391424 -0.828064 -1.187858
C 3.689250 -1.404032 -0.476955
C -1.759559 4.221720 -1.588890
C 1.742413 -2.849988 -0.966001
C 1.121789 -3.233667 0.398823
C 0.399083 -4.595634 0.331107
H -1.842249 -2.146356 -0.513356
H 0.055006 1.300662 1.713013
H -2.778153 -2.752992 1.622120
H -4.301641 -2.445201 0.740989
H -1.556967 -0.304193 2.716809
H -2.422041 1.115351 2.044320
H -3.849917 -1.040699 3.054039
H -4.429197 -0.133653 1.626463
H -1.832303 2.586379 0.555086
H 4.548167 1.886644 0.654000
H 5.416067 -0.098744 -0.572190
H 1.589118 1.567822 -0.842976
H 0.309658 3.553846 -1.423613
H -0.856099 2.264439 -1.810378
H 0.829764 4.091387 1.054172
H -0.788493 4.851311 1.057272
H -0.363598 3.645768 2.304656
H -1.684988 4.460870 -2.665191
H -1.636041 5.166997 -1.029746
H -2.780917 3.841078 -1.400698
H 1.861127 -0.724078 -1.252107
H 0.958618 -2.816151 -1.743709
H 2.491881 -3.612362 -1.248085
H -4.392295 -1.488109 -2.751561
H 0.416164 -2.439208 0.711092
H 1.927225 -3.267844 1.155099
H -0.040378 -4.865476 1.308858
H 1.100782 -5.402167 0.047940
H -0.416843 -4.584667 -0.418143


