%chk=000021696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021696

1 1
 S  -1.5600000E-02  -1.282500      -1.690000    
 N    1.744700      0.6682000     -0.7229000    
 N    4.402000      -1.779900      0.2115000    
 N  -0.3252000       1.298000     -0.7547000    
 C    2.937700     -0.1474000     -0.8756000    
 C    3.214500     -0.9546000      0.3869000    
 C    1.729300       1.959100     -0.2361000    
 C   0.5015000      0.2842000      -1.030900    
 C   0.3929000       2.365700     -0.2567000    
 C    5.561200     -0.9523000     -0.1290000    
 C    4.673500      -2.558400       1.421900    
 C   -6.224200     -0.1111000      0.9593000    
 C   -5.567000      -1.496000      0.7385000    
 C    2.754600       2.784400      0.2105000    
 C  -1.1200000E-02   3.626000      0.1678000    
 C   -4.201600      -1.443300      0.1411000    
 C    6.791400      -1.807500     -0.3807000    
 C    3.483500      -3.426000       1.795100    
 C   -1.655100      -1.345400     -0.9727000    
 C    2.362300       4.059500      0.6423000    
 C    1.012400       4.470300      0.6213000    
 C   -6.521900      0.5581000     -0.3849000    
 C   -5.341600      0.8075000       1.807800    
 C   -4.045200      -1.471300      -1.244600    
 C   -3.081000      -1.366200      0.9683000    
 C   -2.767900      -1.422300      -1.803200    
 C   -1.803900      -1.317000      0.4095000    
 H    3.738300      0.5524000      -1.128800    
 H    2.819500     -0.8025000      -1.746100    
 H    3.316900     -0.2791000       1.246400    
 H    2.324100      -1.565700      0.5653000    
 H    5.413200     -0.4256000      -1.074800    
 H    5.775600     -0.2031000      0.6433000    
 H    5.504300      -3.251900       1.255900    
 H    4.941000      -1.916200       2.270600    
 H   -1.330700       1.296100     -0.9010000    
 H   -7.174300     -0.2707000       1.484000    
 H   -6.221700      -2.118200      0.1139000    
 H   -5.517100      -2.019800       1.702900    
 H    3.789100       2.466500      0.2297000    
 H   -1.050200       3.928400      0.1470000    
 H    7.224400      -2.200200      0.5445000    
 H    6.575100      -2.642700      -1.055700    
 H    7.571100      -1.199700     -0.8541000    
 H    2.667000      -2.848700       2.240000    
 H    3.099800      -3.983800      0.9339000    
 H    3.789100      -4.161300       2.548300    
 H    3.118800       4.752100       1.004700    
 H   0.7599000       5.470200      0.9674000    
 H   -7.121500       1.462000     -0.2289000    
 H   -5.612300      0.8634000     -0.9113000    
 H   -7.096100     -0.1072000      -1.038100    
 H   -4.432500       1.119600       1.284300    
 H   -5.058700      0.3219000       2.747400    
 H   -5.891300       1.720200       2.064800    
 H   -4.908400      -1.536500      -1.901600    
 H   -3.186100      -1.349800       2.049800    
 H   -2.663900      -1.445700      -2.884900    
 H  -0.9430000      -1.262500       1.071100    


%chk=000021696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021696

1 1
S 0.020715 -1.755626 -0.137644
N 1.765164 0.431863 -0.363542
N 4.920859 -1.526527 0.437566
N -0.333861 1.047293 0.061498
C 2.968743 -0.414989 -0.567832
C 3.726317 -0.733106 0.755533
C 1.756730 1.851629 -0.278196
C 0.493723 -0.024142 -0.144938
C 0.412666 2.244767 -0.015783
C 6.165758 -0.721962 0.286489
C 5.073704 -2.774817 1.234067
C -6.749423 0.091425 0.543811
C -6.150596 -1.356184 0.432245
C 2.787789 2.799319 -0.421173
C 0.044872 3.596330 0.115139
C -4.640366 -1.419700 0.294636
C 7.186313 -1.354094 -0.677673
C 4.037554 -3.852692 0.865110
C -1.819048 -1.552023 0.036169
C 2.422218 4.156142 -0.290891
C 1.078368 4.546942 -0.027484
C -6.493356 0.935432 -0.725856
C -6.273117 0.831368 1.814942
C -4.021916 -1.422732 -0.986490
C -3.803358 -1.492266 1.442472
C -2.618840 -1.492122 -1.127841
C -2.397484 -1.563534 1.326187
H 3.636352 0.112272 -1.269835
H 2.664906 -1.360064 -1.048890
H 3.970351 0.219095 1.279352
H 3.055088 -1.303135 1.424135
H 5.876084 0.271238 -0.110902
H 6.646357 -0.535297 1.277533
H 6.082439 -3.173350 1.030582
H 5.030920 -2.564433 2.330405
H -1.336509 0.949055 0.236443
H -7.844899 -0.057800 0.633022
H -6.620032 -1.849797 -0.439741
H -6.461440 -1.920880 1.331827
H 3.822818 2.510272 -0.623002
H -0.985295 3.903271 0.316310
H 7.555530 -2.327820 -0.310629
H 6.732109 -1.514855 -1.670786
H 8.063896 -0.692136 -0.791688
H 3.000516 -3.520262 1.062978
H 4.119547 -4.113605 -0.204276
H 4.207278 -4.766372 1.462934
H 3.190603 4.928032 -0.394352
H 0.841656 5.610882 0.066465
H -7.006467 1.911175 -0.649804
H -5.414431 1.135890 -0.869001
H -6.871218 0.429304 -1.633813
H -5.185777 1.034805 1.781877
H -6.485066 0.245964 2.729127
H -6.791123 1.802503 1.911844
H -4.646869 -1.391675 -1.885402
H -4.257235 -1.515944 2.438982
H -2.160615 -1.519714 -2.121481
H -1.770101 -1.650913 2.218960


