%chk=000150794.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150794

0 1
 O  -0.4191000      -3.518500      0.2398000    
 O    4.012500       1.834700      0.6200000    
 O  -0.5497000       3.060100     -0.4285000    
 O   -3.623500      -1.103500     -0.9774000    
 O   -4.556000      0.8532000      0.7135000    
 N   0.5974000      -1.981000      -1.354100    
 N    1.045500      -1.181400      0.9606000    
 N    1.853000       1.583400     -0.3987000    
 C    2.122300     -0.9900000     -9.3199998E-02
 C    1.423700     -0.7174000      -1.334500    
 C    3.237500     -0.4227000      0.6156000    
 C    1.563000      -2.441800       1.306200    
 C   0.8918000      0.7056000      -1.179400    
 C   0.8631000      -2.993600     -0.1375000    
 C    3.052900      -1.724200       1.600600    
 C    2.784400       1.059300      0.6857000    
 C  -0.8479000      -1.749400      -1.379100    
 C  -0.5729000      0.7001000     -0.7425000    
 C   -1.348700     -0.4037000     -0.8438000    
 C   -1.370100      -3.039600     -0.7175000    
 C    2.767900       2.299200      -1.289800    
 C   0.6653000     -0.3566000       2.091800    
 C    3.756600       2.887000     -0.3116000    
 C   -1.158900       2.001600     -0.2998000    
 C   -2.811000     -0.2753000     -0.5762000    
 C   -2.504700       1.982400      0.3294000    
 C   -3.277700      0.8992000      0.1941000    
 C   -2.919500       3.229400       1.053800    
 C   -4.677000     -0.1966000       1.652500    
 H    2.675900      -1.890100     -0.4819000    
 H    2.113100     -0.7521000      -2.188500    
 H    4.198000     -0.5153000      9.3500003E-02
 H    1.132100      -2.929800       2.185700    
 H   0.8250000       1.128400      -2.194400    
 H    1.473800      -3.819800     -0.5224000    
 H    3.829700      -2.469000       1.379900    
 H    3.165200      -1.422600       2.648300    
 H    2.379600       1.321500       1.663900    
 H   -1.176900      -1.768600      -2.427400    
 H   -2.326200      -2.936600     -0.2020000    
 H   -1.484900      -3.827300      -1.472700    
 H    2.268400       3.075000      -1.877400    
 H    3.279200       1.603300      -1.966000    
 H  -0.1866000     -0.8288000       2.597500    
 H   0.3013000      0.6275000       1.791700    
 H    1.431000     -0.2162000       2.859800    
 H    4.692900       3.187700     -0.7894000    
 H    3.341100       3.743200      0.2323000    
 H   -3.903400       3.136700       1.524100    
 H   -2.963400       4.077000      0.3619000    
 H   -2.200300       3.464000       1.845800    
 H   -4.814600      -1.165500       1.163700    
 H   -5.574100     -7.4999998E-03   2.250700    
 H   -3.825000     -0.2358000       2.341800    


%chk=000150794-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150794

0 1
O -0.095141 -3.917423 -0.047325
O 4.293965 1.620131 0.277056
O -0.487748 3.100643 -0.483133
O -3.538973 -1.370014 -0.399833
O -4.603247 1.081740 0.744255
N 0.545636 -2.037489 -1.372924
N 1.170562 -1.274868 0.836836
N 1.953530 1.424573 -0.224767
C 2.275958 -1.115147 -0.348827
C 1.404896 -0.730815 -1.470590
C 3.438280 -0.651072 0.437425
C 1.764963 -2.579975 1.090727
C 0.908849 0.698826 -1.093332
C 1.111066 -3.196081 -0.334425
C 3.325422 -2.023604 1.375494
C 3.110334 0.856253 0.681395
C -0.889191 -1.847152 -1.027574
C -0.541306 0.693991 -0.608557
C -1.316572 -0.447115 -0.591497
C -1.199095 -2.941262 0.051439
C 2.505078 2.652302 -0.879112
C 0.980866 -0.396816 2.011726
C 3.768298 2.961650 -0.062416
C -1.155423 2.020565 -0.296084
C -2.771853 -0.356072 -0.244261
C -2.531931 2.086996 0.243929
C -3.296972 0.934050 0.293801
C -3.089596 3.421395 0.668518
C -5.458535 -0.067023 1.122130
H 2.637026 -2.098539 -0.684462
H 1.897381 -0.724336 -2.458280
H 4.405052 -0.676812 -0.095378
H 1.368986 -3.155951 1.949177
H 0.884228 1.315214 -2.015903
H 1.775059 -3.878462 -0.895360
H 4.135025 -2.708065 1.059239
H 3.423958 -1.850023 2.462168
H 2.868331 1.136504 1.722055
H -1.502647 -2.084573 -1.923400
H -1.228951 -2.498176 1.063642
H -2.126533 -3.490191 -0.153941
H 1.761494 3.464918 -0.848798
H 2.781246 2.457236 -1.940205
H 0.149569 -0.850983 2.585543
H 0.670694 0.612266 1.696251
H 1.845541 -0.305623 2.703486
H 4.552355 3.487541 -0.627274
H 3.526137 3.518005 0.866313
H -3.468065 3.374643 1.706099
H -3.951212 3.711453 0.038372
H -2.311153 4.195521 0.587727
H -5.788477 -0.621259 0.231270
H -6.309851 0.402705 1.638995
H -4.926213 -0.755001 1.801090


