%chk=000157464.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157464

0 1
 O    3.349500      -2.411600     -0.6231000    
 O   -3.471600      -2.265000      0.4836000    
 O    3.470600       2.249900     -0.4817000    
 O   -3.351000       2.396400      0.6224000    
 N    3.472600     -8.3600000E-02 -0.5647000    
 N   -3.473300      6.8400003E-02  0.5684000    
 N    7.083900     -0.2422000      0.2728000    
 N   -7.082900      0.2752000     -0.2668000    
 C   0.7009000     -2.3100000E-02 -0.1127000    
 C  -0.7018000      7.7999998E-03  0.1156000    
 C    1.343100      -1.260100     -0.2590000    
 C   -1.411000      -1.199100      0.1891000    
 C    1.410100       1.183900     -0.1863000    
 C   -1.344100       1.244900      0.2616000    
 C    2.802100      -1.317900     -0.4974000    
 C   -2.872700      -1.193400      0.4262000    
 C    2.871800       1.178200     -0.4232000    
 C   -2.803000       1.302700      0.4998000    
 C   0.6201000      -2.454600     -0.1829000    
 C  -0.7526000      -2.424100      4.0500000E-02
 C   0.7518000       2.409000     -3.7999999E-02
 C  -0.6210000       2.439400      0.1853000    
 C    4.911300     -0.1409000     -0.8000000    
 C   -4.912100      0.1256000      0.8042000    
 C    5.663900     -0.1777000      0.5237000    
 C   -5.662100      0.2278000     -0.5176000    
 C    7.841700     -0.3124000       1.529600    
 C    7.536300      0.9127000     -0.5145000    
 C   -7.532000     -0.9168000      0.4652000    
 C   -7.838600      0.4006000      -1.520300    
 H    5.154200      -1.022700      -1.405600    
 H    5.162900      0.7411000      -1.396400    
 H   -5.172900     -0.7767000       1.364600    
 H   -5.145700      0.9848000       1.445200    
 H    1.106400      -3.420000     -0.2947000    
 H   -1.290000      -3.367100      9.5399998E-02
 H    1.289200       3.352000     -9.2799999E-02
 H   -1.107400       3.404800      0.2969000    
 H    5.400400      0.6971000       1.133500    
 H    5.343200      -1.061300       1.090400    
 H   -5.343400       1.138700      -1.040100    
 H   -5.394700     -0.6156000      -1.168700    
 H    7.534200      -1.187000       2.113600    
 H    7.699900      0.5828000       2.145900    
 H    8.912100     -0.4310000       1.328400    
 H    8.632400      0.9433000     -0.5504000    
 H    7.191900       1.865100     -9.5200002E-02
 H    7.226800      0.8403000      -1.561400    
 H   -7.178900      -1.847400      6.2000002E-03
 H   -8.628100     -0.9564000      0.4926000    
 H   -7.230400     -0.8888000       1.516600    
 H   -7.533100       1.302300      -2.062800    
 H   -8.909800      0.5063000      -1.316000    
 H   -7.692700     -0.4647000      -2.176900    


%chk=000157464-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157464

0 1
O 3.464644 -2.486053 -0.274235
O -3.600065 -2.136463 0.853484
O 3.600253 2.149756 -0.857039
O -3.464376 2.499373 0.270853
N 3.514430 -0.172625 -0.600930
N -3.514208 0.185904 0.597513
N 7.227111 -0.038637 0.205213
N -7.226048 0.049556 -0.212118
C 0.707424 -0.028971 -0.118231
C -0.707079 0.042342 0.115526
C 1.364946 -1.298023 -0.079655
C -1.438379 -1.156824 0.382029
C 1.438720 1.170181 -0.384805
C -1.364598 1.311394 0.076967
C 2.833833 -1.389353 -0.316147
C -2.907687 -1.101037 0.625510
C 2.907979 1.114366 -0.628619
C -2.833506 1.402740 0.313356
C 0.626739 -2.464877 0.184300
C -0.772691 -2.394557 0.413014
C 0.773039 2.407920 -0.415747
C -0.626382 2.478246 -0.186977
C 4.982656 -0.244949 -0.840557
C -4.982652 0.257915 0.835980
C 5.783222 -0.168681 0.484841
C -5.781877 0.180071 -0.490139
C 8.087581 -0.651582 1.236029
C 7.635471 1.344907 -0.114462
C -7.633808 -1.333824 0.109207
C -8.085302 0.659818 -1.245585
H 5.202914 -1.197710 -1.344587
H 5.245950 0.598364 -1.496422
H -5.246150 -0.584808 1.492519
H -5.203603 1.211128 1.338837
H 1.157477 -3.421611 0.208438
H -1.359004 -3.295530 0.618126
H 1.359344 3.308887 -0.620906
H -1.157111 3.434987 -0.211082
H 5.393218 0.679498 1.100760
H 5.611315 -1.100978 1.051444
H -5.609854 1.112033 -1.057285
H -5.390769 -0.668400 -1.104968
H 7.806762 -1.710003 1.376697
H 8.029730 -0.139625 2.229996
H 9.140655 -0.620705 0.902262
H 8.682359 1.350503 -0.466869
H 7.558188 2.034002 0.764209
H 7.004107 1.758395 -0.918965
H -7.554297 -2.024334 -0.768148
H -8.681335 -1.339688 0.459689
H -7.003583 -1.745379 0.915575
H -7.805346 1.718296 -1.387564
H -9.138945 0.628359 -0.913694
H -8.025011 0.146189 -2.238540


