%chk=000131456.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131456

0 1
 O   0.5686000      0.8435000      -2.675100    
 O   -3.497500       3.108800     -0.5909000    
 O   -1.990800       2.720000      -2.252100    
 O    5.615400     -0.8393000      0.6284000    
 N  -0.5628000      0.4191000     -0.6613000    
 N   -2.084800      -1.904100      0.2867000    
 N   -2.195400      -1.089000       1.403500    
 C   -1.807500     -1.6899999E-02  -1.324900    
 C   -1.996600      -1.461600      -1.010600    
 C  -0.5540000      0.6931000      0.7614000    
 C   -3.027800      0.8636000      -1.060300    
 C   -1.351300      1.7000000E-03   1.716200    
 C   -2.010600      -2.566800      -1.839000    
 C   -2.057300      -3.281100      0.2897000    
 C   0.5876000      0.5473000      -1.479300    
 C   -2.044600      -3.715400      -1.016300    
 C   0.2433000       1.779000       1.197800    
 C   -3.353600      -1.371800       2.252700    
 C   -1.258500      0.4250000       3.067600    
 C   -2.755600       2.304300      -1.394700    
 C    1.912200      0.1815000     -0.9243000    
 C   0.3062000       2.163500       2.534100    
 C  -0.4422000       1.480600       3.473000    
 C    2.003200     -0.8078000      4.9400002E-02
 C    3.054700      0.8306000      -1.381400    
 C    3.250000      -1.151700      0.5718000    
 C    4.301500      0.4867000     -0.8590000    
 C    4.399200     -0.5046000      0.1177000    
 C    6.749000     -0.1382000      0.1192000    
 H   -1.632200      3.3300001E-02  -2.408700    
 H   -3.875100      0.5322000      -1.672800    
 H   -3.354500      0.8058000     -1.7899999E-02
 H   -1.953200      -2.545000      -2.918500    
 H   -2.076700      -3.834800       1.218900    
 H   -2.040200      -4.747500      -1.337000    
 H   0.8163000       2.367500      0.4835000    
 H   -3.864400     -0.4479000       2.548700    
 H   -3.049100      -1.920200       3.150700    
 H   -4.104400      -1.980000       1.733400    
 H   -1.819200     -8.3800003E-02   3.849300    
 H   0.9321000       2.998700       2.832600    
 H  -0.4017000       1.766500       4.519600    
 H    1.138600      -1.366800      0.3929000    
 H    2.995700       1.609600      -2.136800    
 H   -3.343200       4.058600     -0.7816000    
 H    3.321100      -1.931400       1.325200    
 H    5.152600       1.030100      -1.255100    
 H    6.892600     -0.3279000     -0.9500000    
 H    7.631000     -0.5319000      0.6349000    
 H    6.696200      0.9317000      0.3476000    


%chk=000131456-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131456

0 1
O 0.488578 0.217245 -2.734960
O -3.722247 3.286859 -0.827281
O -1.705115 2.911952 -1.915754
O 5.828187 -0.570880 0.732035
N -0.567305 0.300726 -0.658678
N -2.226477 -1.898245 0.215063
N -2.354426 -1.072993 1.352817
C -1.870495 0.025780 -1.359181
C -2.195216 -1.423608 -1.108545
C -0.571207 0.613519 0.741423
C -2.992677 1.008257 -0.963038
C -1.378424 -0.099301 1.700986
C -2.178394 -2.547555 -1.942760
C -2.257247 -3.299025 0.224859
C 0.591468 0.221352 -1.467160
C -2.244909 -3.721232 -1.110545
C 0.228079 1.696202 1.188853
C -3.471335 -1.406472 2.251331
C -1.279533 0.277655 3.071789
C -2.690492 2.455420 -1.302003
C 1.939149 0.069855 -0.821996
C 0.308269 2.056445 2.547213
C -0.447280 1.332208 3.494719
C 2.172756 -0.738119 0.324666
C 3.049478 0.651915 -1.479949
C 3.475661 -0.937860 0.807183
C 4.362048 0.479883 -0.994423
C 4.574904 -0.318898 0.158095
C 7.001882 0.030788 0.092723
H -1.639833 0.155110 -2.431100
H -3.912677 0.718818 -1.505974
H -3.247006 0.951259 0.109195
H -2.084115 -2.519304 -3.027176
H -2.297996 -3.860509 1.155412
H -2.261514 -4.757007 -1.445495
H 0.784133 2.262084 0.435623
H -3.856654 -0.484506 2.721243
H -3.193741 -2.117885 3.056888
H -4.276496 -1.858717 1.649704
H -1.848741 -0.281259 3.820215
H 0.941390 2.894263 2.855115
H -0.394769 1.583081 4.559635
H 1.336725 -1.229868 0.830904
H 2.870035 1.232551 -2.390701
H -3.510800 4.230493 -1.065073
H 3.669053 -1.567783 1.680458
H 5.196979 0.953692 -1.519014
H 7.123296 -0.330970 -0.946594
H 7.857913 -0.294940 0.701558
H 6.939436 1.136321 0.096597


