%chk=000153541.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153541

1 1
 O    1.787600       4.442100      0.3889000    
 N   -4.473300     -0.1532000     -0.1082000    
 N   -1.129000      -1.616800      0.6210000    
 N    4.535800     -0.2175000     -0.4470000    
 C   -4.335300       1.122900      0.6078000    
 C   -5.232500      1.6600000E-02  -1.355000    
 C   -5.703700       1.715200      0.9482000    
 C   -6.630300      0.5727000      -1.078600    
 C   -6.562300       1.881700     -0.3004000    
 C   -3.157600     -0.7293000     -0.3847000    
 C   -2.427800      -1.018100      0.9197000    
 C    1.192700      -1.344600      0.1657000    
 C    2.359000     -0.5293000     -2.2900000E-02
 C  -7.2300002E-02 -0.8103000      0.4543000    
 C    1.305800      -2.755200      5.9000000E-02
 C    3.564800      -1.178100     -0.3064000    
 C    2.652000      0.8862000      1.7000000E-03
 C   -1.045700      -2.947100      0.5250000    
 C    4.014400       1.037300     -0.2668000    
 C   0.1693000      -3.550700      0.2426000    
 C    2.542200      -3.340700     -0.2267000    
 C    3.686200      -2.566100     -0.4132000    
 C    1.899500       2.062600      0.2249000    
 C    4.654200       2.282000     -0.3232000    
 C    2.523500       3.315800      0.1723000    
 C    3.882600       3.422000     -9.8200001E-02
 H   -3.755400       1.844900      1.8100001E-02
 H   -3.833500       1.003100       1.571100    
 H   -5.345100     -0.9520000      -1.856900    
 H   -4.701900      0.6831000      -2.047800    
 H   -5.575800       2.686600       1.439300    
 H   -6.220800       1.061500       1.662300    
 H   -7.211700     -0.1622000     -0.5075000    
 H   -7.159000      0.7326000      -2.025100    
 H   -7.570800       2.207700     -2.3100000E-02
 H   -6.133500       2.664700     -0.9377000    
 H   -2.557200     -6.4900003E-02  -1.019900    
 H   -3.276000      -1.670300     -0.9369000    
 H   -2.991800      -1.712500       1.554900    
 H   -2.214800     -0.1316000       1.524300    
 H  -0.2694000      0.2464000      0.5493000    
 H   -1.953600      -3.520400      0.6705000    
 H   0.2204000      -4.633500      0.1667000    
 H    5.505500     -0.4106000     -0.6557000    
 H    2.633900      -4.422500     -0.3093000    
 H    4.640700      -3.032900     -0.6347000    
 H   0.8371000       2.020500      0.4389000    
 H    5.715600       2.361300     -0.5346000    
 H    4.363300       4.396500     -0.1381000    
 H    2.369100       5.218500      0.3166000    


%chk=000153541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153541

1 1
O 1.707948 4.364868 0.648742
N -4.361377 0.113390 -0.212647
N -1.121472 -1.680173 0.615191
N 4.653085 -0.244318 -0.430657
C -4.267019 1.550896 0.155930
C -5.451304 -0.170735 -1.186650
C -5.603136 2.069785 0.724473
C -6.811869 0.309101 -0.642877
C -6.758732 1.807506 -0.267518
C -3.080001 -0.524511 -0.493399
C -2.463118 -1.062180 0.839124
C 1.251277 -1.384967 0.145856
C 2.417778 -0.566481 -0.007249
C -0.028508 -0.870101 0.470281
C 1.376858 -2.829929 -0.034349
C 3.661477 -1.210598 -0.329363
C 2.689924 0.859631 0.086056
C -1.020835 -3.055672 0.435278
C 4.097348 1.023149 -0.184275
C 0.202788 -3.630006 0.122761
C 2.645532 -3.411708 -0.354483
C 3.784149 -2.615445 -0.502619
C 1.908126 2.007761 0.364356
C 4.723000 2.285838 -0.180780
C 2.533368 3.269610 0.367688
C 3.929101 3.412263 0.097915
H -3.981446 2.162183 -0.737476
H -3.464492 1.678509 0.908109
H -5.478380 -1.260496 -1.371980
H -5.248574 0.332800 -2.164892
H -5.510239 3.150847 0.938891
H -5.811568 1.555630 1.682304
H -7.072084 -0.288633 0.251792
H -7.591054 0.124443 -1.405631
H -7.720712 2.127042 0.172336
H -6.606517 2.415044 -1.183203
H -2.340843 0.163954 -0.973379
H -3.227971 -1.374000 -1.185460
H -3.135108 -1.815684 1.277628
H -2.352136 -0.236052 1.561371
H -0.199752 0.192873 0.638979
H -1.939014 -3.630193 0.563511
H 0.258567 -4.714992 -0.000390
H 5.631976 -0.423441 -0.649392
H 2.714842 -4.496413 -0.483015
H 4.750215 -3.068755 -0.747255
H 0.838014 1.976291 0.580163
H 5.791453 2.399521 -0.386836
H 4.387977 4.408230 0.107738
H 2.207557 5.218418 0.643801


