%chk=000158781.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158781

0 1
 O    5.042400       2.169600      -1.191800    
 O    2.746200       1.929400      -2.331800    
 O    2.460600     -0.1178000      -3.254800    
 N    2.360000      -1.037900     -0.3632000    
 N    3.571000     -0.1456000       1.243100    
 N   -2.936700       2.459200      0.3668000    
 N   -3.047700       1.185000       2.235500    
 N   -2.144300       2.880100       1.362700    
 N   -2.178100       2.155200       2.489600    
 C    4.442500       1.860100      0.1019000    
 C    3.637500      0.6277000      0.1110000    
 C    2.786100      -1.148600      0.9178000    
 C    2.886300      8.5600004E-02 -0.9051000    
 C    1.472900      -1.980500      -1.053000    
 C    2.395800      -2.266800       1.800900    
 C    3.636100       3.142900      0.4618000    
 C    5.666700       1.784900       1.056900    
 C   3.6400001E-02  -1.616000     -0.8863000    
 C    3.589300      -2.843900       2.587900    
 C    2.680900      0.5617000      -2.235900    
 C  -0.5796000     -0.7678000      -1.806400    
 C  -0.6911000      -2.123400      0.1904000    
 C    4.664100      -3.416900       1.677700    
 C   -2.650500     -0.9339000     -0.5734000    
 C   -1.923100     -0.4266000      -1.649900    
 C   -2.034600      -1.782300      0.3468000    
 C   -4.044300     -0.5809000     -0.4113000    
 C   -4.440300      0.5381000      0.3261000    
 C   -5.011100      -1.389700      -1.013800    
 C   -5.794300      0.8460000      0.4595000    
 C   -6.365100      -1.081700     -0.8800000    
 C   -3.477500       1.399000      0.9637000    
 C   -6.756600      3.5999998E-02 -0.1434000    
 H    1.680200      -2.994700     -0.6997000    
 H    1.752000      -2.017900      -2.109600    
 H    1.934900      -3.105900       1.279600    
 H    1.653800      -1.898300       2.519700    
 H    2.797700       3.296700     -0.2244000    
 H    3.227500       3.075800       1.476100    
 H    4.266900       4.036600      0.3942000    
 H    6.292100       2.680900      0.9680000    
 H    5.357400       1.679900       2.102500    
 H    6.304100      0.9298000      0.8018000    
 H    3.222700      -3.635000       3.252700    
 H    4.031500      -2.069900       3.226700    
 H    5.594800       1.410100      -1.445600    
 H  -3.8400002E-02 -0.3715000      -2.658700    
 H  -0.2422000      -2.800100      0.9092000    
 H    4.248400      -4.179000       1.010700    
 H    5.134900      -2.641900       1.065300    
 H    5.450500      -3.886600       2.277300    
 H   -2.388600      0.2338000      -2.377700    
 H   -2.588400      -2.189300       1.189600    
 H    2.602400       2.234300      -3.253000    
 H   -4.726500      -2.265700      -1.592500    
 H   -6.118300       1.713200       1.030400    
 H   -7.114500      -1.712200      -1.349500    
 H   -7.810800      0.2755000     -3.9400000E-02
 H   -1.552700       3.698700       1.268800    


%chk=000158781-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158781

0 1
O 4.265799 2.707019 -0.367598
O 1.524862 2.084647 -1.494525
O 2.049696 0.175496 -2.699272
N 2.393834 -1.168194 -0.033247
N 3.542313 -0.231450 1.675118
N -1.739170 1.463319 -0.661486
N -2.959097 2.903651 0.648512
N -1.018412 2.547277 -0.262079
N -1.718051 3.444345 0.532359
C 3.784097 2.188950 0.947189
C 3.235894 0.772952 0.760922
C 3.009237 -1.385477 1.192680
C 2.493281 0.218927 -0.312718
C 1.617824 -2.155843 -0.828611
C 3.123432 -2.702686 1.907762
C 2.689113 3.181708 1.383858
C 4.953267 2.186146 1.955673
C 0.112799 -1.925172 -0.719522
C 4.521597 -3.368130 1.734196
C 2.034078 0.764156 -1.587651
C -0.694350 -1.901444 -1.880430
C -0.492287 -1.688898 0.540229
C 4.823709 -3.817191 0.289150
C -2.640339 -1.217616 -0.551275
C -2.062405 -1.562380 -1.796068
C -1.852426 -1.339428 0.622803
C -3.998763 -0.588020 -0.470642
C -4.129258 0.810121 -0.182602
C -5.172588 -1.360169 -0.642526
C -5.421375 1.379003 -0.029633
C -6.454932 -0.782424 -0.507355
C -2.957278 1.698048 -0.071367
C -6.578140 0.589226 -0.186579
H 1.903473 -3.155478 -0.460280
H 1.937360 -2.077549 -1.880310
H 2.333983 -3.405427 1.583279
H 2.959903 -2.503613 2.982322
H 1.939861 3.292549 0.586314
H 2.193022 2.829131 2.304303
H 3.142019 4.169517 1.575433
H 5.368584 3.206745 2.020572
H 4.615474 1.862335 2.953198
H 5.751067 1.487375 1.643468
H 4.571557 -4.241352 2.413292
H 5.290597 -2.649735 2.074973
H 5.102551 2.223777 -0.595287
H -0.239427 -2.084657 -2.861004
H 0.111376 -1.722508 1.455476
H 4.086999 -4.565141 -0.062190
H 4.805566 -2.962510 -0.412355
H 5.824695 -4.280282 0.223390
H -2.658987 -1.475990 -2.710720
H -2.298893 -1.100851 1.594726
H 1.453962 2.445560 -2.419726
H -5.072337 -2.428454 -0.863701
H -5.498258 2.445922 0.203223
H -7.349681 -1.400263 -0.640993
H -7.568421 1.042094 -0.068676
H -0.020708 2.625835 -0.521491


