%chk=000156884.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156884

0 1
 O    4.313400      1.8000000E-03   2.165600    
 O   0.7591000      0.9652000      -2.646500    
 O  -0.4046000       1.930100       1.835400    
 N    2.606900       1.260200      0.2667000    
 N  -0.1546000     -0.3097000     -0.8577000    
 N  -0.6064000      1.0400000E-02  0.4445000    
 C   0.3524000       1.938200     -0.4657000    
 C    1.789900       2.378200     -0.2006000    
 C  -0.5181000       3.103200     -0.9292000    
 C   0.3293000      0.8352000      -1.509300    
 C  -0.2322000       1.317800      0.7913000    
 C   -1.973000       2.674700      -1.099800    
 C    4.007900       1.671000      0.4319000    
 C    2.086000      0.7267000       1.533000    
 C   -2.847000       3.851600      -1.532700    
 C    4.837700      0.4916000      0.9310000    
 C    2.961300     -0.4299000       2.007100    
 C   0.1698000      -1.631100      -1.291700    
 C   -1.641600     -0.6954000       1.130200    
 C   -4.304300       3.441500      -1.672500    
 C   0.4219000      -1.882900      -2.642100    
 C   -1.892300     -0.4350000       2.479200    
 C   0.2364000      -2.675800     -0.3674000    
 C   -2.407200      -1.647900      0.4541000    
 C   0.7390000      -3.173300      -3.066200    
 C   -2.903400      -1.123900       3.148900    
 C   0.5536000      -3.966300     -0.7916000    
 C   -3.418400      -2.336700       1.123900    
 C   0.8050000      -4.215000      -2.141000    
 C   -3.666500      -2.074600       2.471400    
 H    1.807800       3.198800      0.5301000    
 H    2.219300       2.772400      -1.131300    
 H  -0.1426000       3.504200      -1.879400    
 H  -0.4697000       3.920300     -0.1977000    
 H   -2.059000       1.880400      -1.850300    
 H   -2.380700       2.282200     -0.1618000    
 H    4.419400       2.015000     -0.5238000    
 H    4.079700       2.497300       1.151200    
 H    2.060600       1.495700       2.315100    
 H    1.204200      0.1259000       1.531400    
 H   -2.490500       4.247500      -2.490800    
 H   -2.772600       4.662100     -0.7983000    
 H    4.866100     -0.3226000      0.1965000    
 H    5.869100      0.8111000       1.111000    
 H    2.618400     -0.7913000       2.983200    
 H    2.933000      -1.279200       1.311900    
 H   -4.910600       4.297600      -1.984900    
 H   -4.419600       2.652100      -2.422100    
 H   -4.701700       3.073100     -0.7214000    
 H   0.3356000      -1.124300      -3.410800    
 H   -1.298800      0.2542000       3.068200    
 H   0.1331000      -2.525700      0.7019000    
 H   -2.314300      -1.832700     -0.6108000    
 H   0.9244000      -3.369900      -4.118100    
 H   -3.090100     -0.9284000       4.200900    
 H   0.6230000      -4.774300     -6.9200002E-02
 H   -4.024900      -3.064100      0.5923000    
 H    1.053700      -5.219400      -2.470900    
 H   -4.455000      -2.609800       2.992300    


%chk=000156884-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156884

0 1
O 4.648684 -0.271025 1.716075
O 0.971011 1.035362 -2.368417
O -0.858258 1.777208 2.053208
N 2.480114 1.338893 0.686533
N -0.203978 -0.270694 -0.778568
N -0.742415 -0.048541 0.545498
C 0.210101 2.004578 -0.194937
C 1.640263 2.467981 0.236411
C -0.635943 3.220008 -0.672148
C 0.367577 0.927049 -1.270295
C -0.491677 1.279347 0.956561
C -2.062514 2.870758 -1.151386
C 3.691289 1.085742 -0.134490
C 2.796847 1.330319 2.136532
C -2.853998 4.125394 -1.585667
C 4.315546 -0.257022 0.279286
C 3.437129 -0.016678 2.511847
C 0.237862 -1.586365 -1.163474
C -1.787535 -0.893783 1.054426
C -4.283725 3.793177 -2.063289
C 0.304474 -1.901980 -2.542802
C -1.985937 -0.967585 2.456536
C 0.631138 -2.535245 -0.187281
C -2.624585 -1.622150 0.171747
C 0.775603 -3.172226 -2.939199
C -3.032756 -1.765507 2.965476
C 1.082265 -3.806492 -0.599557
C -3.656500 -2.426215 0.698748
C 1.159981 -4.131191 -1.973885
C -3.868624 -2.501788 2.094750
H 1.515467 3.223809 1.038890
H 2.098936 2.972782 -0.636555
H -0.079349 3.712238 -1.494483
H -0.696124 3.936411 0.170961
H -2.011150 2.162476 -2.003425
H -2.618580 2.359578 -0.339485
H 3.402207 1.044256 -1.200093
H 4.450282 1.896561 -0.005196
H 3.502662 2.155242 2.405015
H 1.865730 1.472674 2.714711
H -2.301668 4.643479 -2.396152
H -2.902051 4.835992 -0.735615
H 3.603754 -1.079618 0.052091
H 5.269343 -0.433529 -0.244485
H 3.767823 -0.023173 3.563713
H 2.700133 -0.832885 2.344140
H -4.829014 4.704242 -2.370390
H -4.262736 3.103859 -2.928415
H -4.866204 3.304976 -1.259438
H 0.010496 -1.156568 -3.285144
H -1.344835 -0.391708 3.126945
H 0.584200 -2.281945 0.875404
H -2.473247 -1.558390 -0.909201
H 0.834235 -3.412397 -4.006299
H -3.188563 -1.814478 4.048636
H 1.380945 -4.540965 0.156275
H -4.298548 -2.990774 0.013880
H 1.514459 -5.118789 -2.287601
H -4.672745 -3.126586 2.497677


