%chk=000133054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133054

0 1
 O    5.372500      0.3872000     -0.8844000    
 O   -2.280800      -2.686000      0.7267000    
 O   -1.959500       2.429100     -0.8609000    
 N    8.660700      0.2522000      0.7484000    
 N  -0.9125000      0.4583000     -0.3532000    
 N   -3.327800     -0.7155000      0.2183000    
 C    7.709300      0.2171000     -0.3379000    
 C    6.299100      0.3879000      0.2008000    
 C    1.571800      -1.043900     -0.1145000    
 C  -0.9178000     -0.8527000      4.6799999E-02
 C    4.121400     -8.3899997E-02 -0.6304000    
 C   0.2187000      -1.552800      0.1602000    
 C   -3.322400      0.5956000     -0.1820000    
 C    2.105400      -1.180100      -1.386700    
 C    2.289400     -0.4367000      0.9046000    
 C   -2.214100      -1.513600      0.3629000    
 C    3.388100     -0.6973000      -1.646300    
 C    3.572000      4.6300001E-02  0.6451000    
 C   -2.026100       1.256400     -0.4981000    
 C    10.03200      6.3199997E-02  0.2572000    
 C    8.569600       1.516300       1.490900    
 C   -4.458900       1.295800     -0.2947000    
 C   -5.812000      0.7869000     -1.9900000E-02
 C   -6.548400      0.2213000      -1.049500    
 C   -6.327100      0.8818000       1.263900    
 C   -7.831100     -0.2609000     -0.7892000    
 C   -7.609800      0.3995000       1.524200    
 C   -8.361800     -0.1719000      0.4976000    
 H    7.763600     -0.7419000     -0.8693000    
 H    7.912000      0.9904000      -1.091300    
 H    6.163800       1.346700      0.7097000    
 H    6.098900     -0.4335000      0.9022000    
 H   0.2045000      -2.593300      0.4774000    
 H    1.544200      -1.656000      -2.186600    
 H    1.869700     -0.3240000       1.900800    
 H  -1.6799999E-02  0.8896000     -0.5639000    
 H    3.810900     -0.8016000      -2.641800    
 H    4.096200      0.5419000       1.456800    
 H   -4.223400      -1.146800      0.4288000    
 H    10.11990     -0.8908000     -0.2746000    
 H    10.73900      2.1900000E-02   1.093300    
 H    10.34060      0.8672000     -0.4208000    
 H    8.601200       2.391600      0.8320000    
 H    9.404000       1.603500       2.198000    
 H    7.672000       1.559600       2.115100    
 H   -4.445000       2.335500     -0.6143000    
 H   -6.146200      0.1462000      -2.056400    
 H   -5.751400       1.325000       2.072200    
 H   -8.416700     -0.7058000      -1.588400    
 H   -8.023200      0.4688000       2.526100    
 H   -9.360500     -0.5474000      0.7004000    


%chk=000133054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133054

0 1
O 5.781378 -0.988136 -0.361754
O -2.518993 -2.961533 -0.656551
O -1.787923 2.429046 -0.005764
N 8.575725 1.241392 0.717567
N -0.905797 0.299189 -0.252516
N -3.389743 -0.851416 -0.251917
C 7.895159 0.062601 0.134414
C 6.376453 0.178312 0.323371
C 1.569764 -1.608737 -0.398487
C -0.957773 -1.109065 -0.371567
C 4.393444 -1.132903 -0.327328
C 0.144773 -1.929825 -0.476877
C -3.331263 0.538688 -0.012022
C 2.497008 -2.506426 -1.018965
C 2.116950 -0.484114 0.289861
C -2.314199 -1.727353 -0.445729
C 3.877888 -2.274945 -0.995424
C 3.504984 -0.243253 0.330323
C -1.980217 1.177670 -0.088260
C 9.925558 0.940837 1.236213
C 8.576725 2.415193 -0.180469
C -4.422785 1.344279 0.225987
C -5.836279 0.983006 0.381077
C -6.819761 1.973900 0.079504
C -6.295278 -0.285700 0.854797
C -8.195937 1.700137 0.201262
C -7.673825 -0.554490 0.984349
C -8.632347 0.429455 0.647093
H 8.240888 -0.847844 0.655455
H 8.120840 -0.076547 -0.950496
H 5.979155 1.111044 -0.124539
H 6.125610 0.160904 1.401241
H -0.117203 -2.976048 -0.679343
H 2.110003 -3.391965 -1.536375
H 1.468973 0.178137 0.875515
H 0.004998 0.759247 -0.345482
H 4.579811 -2.960070 -1.480059
H 3.881047 0.621076 0.885226
H -4.311713 -1.289427 -0.343574
H 9.869489 0.122580 1.975415
H 10.329689 1.832855 1.747939
H 10.654959 0.643106 0.441204
H 9.193583 2.259494 -1.101501
H 8.977575 3.292698 0.357261
H 7.548414 2.659788 -0.498608
H -4.172434 2.411596 0.267641
H -6.488182 2.960721 -0.264977
H -5.580774 -1.041870 1.200388
H -8.928851 2.475847 -0.046371
H -8.000367 -1.529699 1.362169
H -9.701998 0.214970 0.744982


