%chk=000152588.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152588

0 1
 O    1.844400      0.6177000      -2.788300    
 O    6.944300     -0.1452000       1.606100    
 O    5.233300      -1.473900      0.9271000    
 N  -0.3474000      0.2288000      -1.067200    
 N   -4.031900     -0.3900000      0.8326000    
 C   -1.596700      1.8700000E-02 -0.4230000    
 C   -2.027100      -1.284200     -0.1524000    
 C   -2.385200       1.116900     -6.5200001E-02
 C   -3.268600      -1.444400      0.4858000    
 C   -3.612700      0.8628000      0.5696000    
 C   0.9514000      0.4038000     -0.5717000    
 C   -1.255200      -2.406300     -0.5008000    
 C   -1.977400       2.437000     -0.3248000    
 C    2.034100      0.5966000      -1.438700    
 C    3.537300      0.7516000      0.4463000    
 C    1.176900      0.3870000      0.8103000    
 C   -3.702700      -2.739100      0.7578000    
 C   -4.402200       1.952200      0.9283000    
 C    3.322000      0.7698000     -0.9317000    
 C    2.464800      0.5601000       1.317300    
 C   -1.711800      -3.690100     -0.2177000    
 C   -2.785200       3.508600      4.3900002E-02
 C    4.913700      0.9394000      0.9887000    
 C   -2.938200      -3.856400      0.4129000    
 C   -3.999900       3.265200      0.6719000    
 C    5.679000     -0.3583000       1.157900    
 C    1.941000     -0.6281000      -3.475300    
 H  -0.4312000      0.2902000      -2.077500    
 H  -0.2937000      -2.312300     -0.9989000    
 H   -1.035800       2.662900     -0.8184000    
 H   0.3619000      0.2397000       1.514200    
 H   -4.660300      -2.895700       1.251200    
 H   -5.358500       1.787600       1.421500    
 H    4.154600      0.9178000      -1.615300    
 H    2.619800      0.5423000       2.392900    
 H   -1.114400      -4.555100     -0.4888000    
 H   -2.468600       4.527200     -0.1587000    
 H    4.865800       1.436700       1.964900    
 H    5.489600       1.591600      0.3207000    
 H   -3.304000      -4.854000      0.6381000    
 H   -4.638100       4.094200      0.9636000    
 H    1.207700      -1.343700      -3.090700    
 H    2.951000      -1.039100      -3.380100    
 H    1.734100     -0.4519000      -4.534400    
 H    7.439100     -0.9851000       1.716200    


%chk=000152588-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152588

0 1
O 1.599865 0.895894 -2.507964
O 6.330773 -1.996897 0.936941
O 6.281829 -0.662921 -0.961019
N -0.381940 0.353939 -0.871182
N -4.253653 -0.343233 0.887792
C -1.629238 0.101047 -0.261700
C -1.943374 -1.145760 0.373023
C -2.648018 1.109495 -0.346766
C -3.271140 -1.296754 0.964472
C -3.958196 0.820618 0.226148
C 0.913769 0.225724 -0.330687
C -1.052695 -2.275684 0.394662
C -2.429154 2.400110 -0.943989
C 2.005732 0.527549 -1.208583
C 3.623913 0.108709 0.576711
C 1.212062 -0.111506 1.010107
C -3.598619 -2.529394 1.633768
C -4.998201 1.809860 0.118196
C 3.337490 0.471860 -0.766409
C 2.553254 -0.177719 1.451586
C -1.415771 -3.461873 1.027306
C -3.458258 3.336485 -1.024276
C 5.069735 0.061226 1.075470
C -2.693569 -3.584589 1.673347
C -4.760598 3.033581 -0.500095
C 5.938002 -0.854797 0.227626
C 2.645008 1.231964 -3.478271
H -0.394344 0.844613 -1.770493
H -0.082277 -2.202220 -0.103399
H -1.432478 2.665371 -1.314106
H 0.399123 -0.319451 1.710699
H -4.592951 -2.596770 2.085730
H -5.971768 1.553572 0.547125
H 4.165924 0.683847 -1.449075
H 2.758611 -0.450961 2.492578
H -0.726260 -4.313161 1.025923
H -3.271785 4.317193 -1.475570
H 5.102146 -0.276320 2.122327
H 5.521096 1.070962 1.021330
H -2.957404 -4.520163 2.178785
H -5.560411 3.778534 -0.575323
H 3.320777 0.372112 -3.644341
H 3.233272 2.107219 -3.142295
H 2.111329 1.473727 -4.409005
H 6.877394 -2.581540 0.343094


