%chk=000147705.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147705

0 1
 O   -5.510400     -0.6009000      0.2902000    
 N  -0.4133000      0.5738000     -0.5297000    
 N   -1.837400       1.812100      -1.733000    
 N   -1.952100     -0.8504000      0.6943000    
 N   -4.186300     -0.2787000      6.0600001E-02
 N   -4.747700       1.460800      -1.555600    
 C   0.8440000      8.3200000E-02 -1.8900000E-02
 C    1.446100       1.378500      0.6329000    
 C    1.740600     -0.5578000      -1.140800    
 C   0.6612000      -1.121100      0.9758000    
 C   -1.663100      0.1398000     -0.1962000    
 C  -0.5705000       1.576700      -1.454400    
 C   -2.521300      0.9229000     -0.9544000    
 C    2.650500       1.801200      0.1711000    
 C    2.984700     -0.9599000     -0.7805000    
 C    1.034600     -0.9186000       2.263800    
 C   0.7163000       1.977400       1.608000    
 C    1.199200     -0.6587000      -2.380000    
 C   0.1441000      -2.267300      0.4678000    
 C   -3.953000      0.7338000     -0.8524000    
 C    3.185400       2.952000      0.7498000    
 C    3.780000      -1.528600      -1.775300    
 C   0.8723000      -1.986500       3.146300    
 C    1.251200       3.128500       2.186700    
 C    1.994500      -1.227600      -3.374800    
 C  -1.8300001E-02  -3.335100       1.350400    
 C    2.485900       3.615600       1.757500    
 C    3.284900      -1.662500      -3.072300    
 C   0.3459000      -3.194800       2.689600    
 C   -3.248000      -1.007800      0.7734000    
 H   0.2630000       2.110000      -1.893200    
 H    3.214300       1.397500     -0.6548000    
 H    3.381600     -0.8858000      0.2261000    
 H    1.509100     -4.1600000E-02   2.675300    
 H  -0.2476000       1.622100       1.955100    
 H   0.1912000     -0.4051000      -2.672300    
 H  -0.1422000      -2.408600     -0.5685000    
 H    4.137900       3.343300      0.4037000    
 H    4.782500      -1.872800      -1.538600    
 H    1.169700      -1.883600       4.186000    
 H   0.7056000       3.646800       2.969800    
 H    1.604800      -1.346400      -4.381800    
 H  -0.4267000      -4.276500      0.9947000    
 H    2.900200       4.514400       2.204900    
 H    3.902500      -2.109800      -3.845700    
 H   0.2228000      -4.027500       3.375900    
 H   -3.682900      -1.766200       1.444600    
 H   -5.715400       1.186700      -1.353200    
 H   -5.673200      -1.280600     -0.3864000    


%chk=000147705-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147705

0 1
O -5.392405 1.834563 0.411887
N -0.410350 -0.029506 -0.879469
N -1.738810 0.405838 -2.704316
N -1.988008 0.609381 0.943260
N -4.108099 1.271394 0.057048
N -4.614651 1.557874 -2.342131
C 0.824863 -0.306568 -0.045914
C 1.057227 0.974409 0.810805
C 2.018520 -0.581693 -1.017740
C 0.637306 -1.590017 0.808793
C -1.646618 0.421875 -0.390781
C -0.529741 -0.010644 -2.280025
C -2.447417 0.677676 -1.530616
C 1.008244 2.238663 0.164849
C 3.120405 0.295302 -1.151368
C 1.763250 -2.097182 1.512042
C 1.305145 0.939758 2.201533
C 2.020840 -1.789166 -1.768892
C -0.577508 -2.309312 0.879815
C -3.803561 1.204595 -1.384568
C 1.216325 3.431680 0.886460
C 4.190419 -0.016965 -2.023359
C 1.669552 -3.271909 2.285157
C 1.516823 2.134209 2.927603
C 3.078726 -2.095542 -2.647843
C -0.672567 -3.492908 1.648589
C 1.478024 3.385510 2.275829
C 4.172572 -1.207084 -2.780699
C 0.445397 -3.977095 2.360804
C -3.227508 1.045510 1.110912
H 0.284101 -0.299341 -2.936421
H 0.791187 2.294215 -0.908418
H 3.160385 1.218820 -0.567991
H 2.726661 -1.580771 1.431581
H 1.303788 -0.013335 2.736058
H 1.194597 -2.499868 -1.651890
H -1.457896 -1.960648 0.335499
H 1.168415 4.394655 0.365963
H 5.036696 0.674036 -2.105932
H 2.552713 -3.641439 2.818085
H 1.698609 2.082901 4.007046
H 3.053938 -3.028648 -3.221277
H -1.624004 -4.035220 1.685854
H 1.636886 4.310915 2.840536
H 5.000268 -1.445782 -3.457607
H 0.369421 -4.893910 2.955832
H -3.622250 1.248473 2.109889
H -5.505942 1.967434 -1.999338
H -6.036767 1.071169 0.366365


