%chk=000157357.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000157357

0 1
 O  -0.7224000       2.577700      0.3973000    
 O   -1.279800      -2.767700       1.651000    
 O   -3.086200       2.505700     -0.6052000    
 O   -3.638700      -2.670200      0.6023000    
 O    2.184700       1.194500     -0.6047000    
 N    6.481900     -0.3911000     -0.8625000    
 N    3.738500       1.161000       1.119700    
 C    5.307700     -0.3471000     -6.9999998E-04
 C   -2.096600      0.5870000      0.3590000    
 C    4.918100       1.094900      0.2892000    
 C   -2.241600     -0.7656000      0.6744000    
 C   0.1227000      0.5728000       1.325100    
 C  -0.9116000       1.257000      0.6856000    
 C    1.396000       1.266800       1.683600    
 C    6.840100      -1.775600      -1.176900    
 C    7.611700      0.2939000     -0.2314000    
 C   -4.431400      0.6004000     -0.6568000    
 C   -4.576400     -0.7521000     -0.3410000    
 C   -3.186100       1.319400     -0.3183000    
 C   -1.201300      -1.448400       1.315900    
 C   -3.487000      -1.484500      0.3362000    
 C  -2.1800000E-02 -0.7770000       1.639400    
 C    2.455300       1.205700      0.5933000    
 C    5.681600      -2.506900      -1.833400    
 C    8.823300      0.3136000      -1.147800    
 C   -5.471600       1.283200      -1.298400    
 C   -5.761800      -1.421900     -0.6670000    
 C   -6.651300      0.6120000      -1.621300    
 C   -6.796000     -0.7377000      -1.306300    
 H    5.475900     -0.8875000      0.9407000    
 H    4.439700     -0.8086000     -0.4839000    
 H    4.733600       1.648100     -0.6390000    
 H    5.672300       1.631300      0.8698000    
 H    1.220700       2.323700       1.918700    
 H    1.790700      0.8302000       2.610500    
 H    7.165500      -2.327200     -0.2858000    
 H    7.658700      -1.806300      -1.903200    
 H    7.879400     -0.1546000      0.7334000    
 H    7.390100       1.350100     -5.7500001E-02
 H   0.7891000      -1.305700       2.135500    
 H    3.869200       1.172100       2.127000    
 H    4.901000      -2.784100      -1.118100    
 H    5.234400      -1.919700      -2.643000    
 H    6.043400      -3.443300      -2.273700    
 H    9.321600     -0.6590000      -1.203900    
 H    8.562000      0.6393000      -2.160600    
 H    9.565800       1.020500     -0.7600000    
 H   -5.385100       2.335500      -1.555400    
 H   -5.901200      -2.473800     -0.4328000    
 H   -7.458100       1.142300      -2.119000    
 H   -7.715500      -1.257900      -1.558900    
 H   -1.496400       2.951500     -4.8799999E-02
 H  -0.4550000      -3.044000       2.085600    


%chk=000157357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157357

0 1
O 0.206051 1.299135 1.140014
O -2.508092 -3.600134 1.288103
O -1.673058 2.296555 -0.084900
O -4.521671 -2.443766 -0.059958
O 3.382154 -2.044084 1.580351
N 6.322096 0.298318 -0.771827
N 2.798299 0.021782 0.664760
C 5.238096 0.462589 0.227264
C -1.781499 -0.013956 0.576217
C 3.869906 0.004300 -0.347747
C -2.496976 -1.266745 0.598919
C 0.104493 -0.996986 1.866947
C -0.492933 0.110086 1.185777
C 1.450291 -0.846410 2.541029
C 7.249011 -0.820513 -0.457010
C 7.012615 1.561501 -1.140699
C -3.665627 1.096791 -0.712577
C -4.383972 -0.133249 -0.699966
C -2.343425 1.175309 -0.074030
C -1.870467 -2.364942 1.249932
C -3.835287 -1.372468 -0.044016
C -0.598761 -2.207661 1.877116
C 2.637741 -1.014464 1.553287
C 6.568520 -2.202954 -0.481400
C 7.683543 1.507238 -2.527882
C -4.220611 2.243711 -1.338234
C -5.655000 -0.198185 -1.319946
C -5.485224 2.166722 -1.950143
C -6.203042 0.942016 -1.941134
H 5.161196 1.521231 0.547602
H 5.442762 -0.133085 1.140947
H 3.980172 -1.024209 -0.729469
H 3.579007 0.654901 -1.191024
H 1.515363 0.151735 3.010542
H 1.582227 -1.616838 3.316302
H 7.735453 -0.666740 0.541643
H 8.058593 -0.811615 -1.209061
H 7.772672 1.859765 -0.372434
H 6.249968 2.362761 -1.157128
H -0.146647 -3.068857 2.387507
H 2.122634 0.795826 0.707431
H 5.757546 -2.284089 0.264943
H 6.140414 -2.401383 -1.480585
H 7.311238 -2.991596 -0.257589
H 8.504705 0.769373 -2.565218
H 6.940690 1.231007 -3.296701
H 8.111834 2.494296 -2.784433
H -3.643052 3.172874 -1.328937
H -6.187648 -1.153964 -1.297949
H -5.915814 3.049966 -2.433260
H -7.186935 0.883600 -2.418774
H -0.428305 1.987126 0.629402
H -1.943442 -4.268920 1.755895


