%chk=000023511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023511

0 1
 O   -3.468100      0.1110000      -2.016300    
 N   0.3624000      -3.075500     -0.2630000    
 N    4.883000      0.7233000      0.9816000    
 N   -2.471000     -0.6440000     -2.4900001E-02
 N   -4.468600      0.4810000     -2.2299999E-02
 N   -4.467100      0.3498000       1.328400    
 C    1.114900     -0.9021000      -1.238700    
 C    1.506100      -2.144700     -0.3363000    
 C  -0.1625000     -0.2312000     -0.7161000    
 C   -1.287900      -1.256500     -0.5804000    
 C    2.133500      -1.759900       1.061300    
 C    2.247800      9.9299997E-02  -1.307000    
 C  -0.8559000      -2.456800      0.2683000    
 C    3.159000      0.1210000     -0.2461000    
 C    3.181300     -0.7104000      0.8914000    
 C    4.217000       1.007500     -0.1910000    
 C   0.6741000      -4.314700      0.4435000    
 C    4.261700     -0.3164000       1.645600    
 C    2.441600       1.036900      -2.326300    
 C    4.429600       1.944700      -1.202700    
 C    3.515700       1.938500      -2.271500    
 C    6.064600       1.406500       1.461600    
 C   -3.427200     -2.9800000E-02 -0.8038000    
 C    5.723000       2.600000       2.337000    
 C   -5.584500       1.153200     -0.4719000    
 C   -6.331000       1.467500      0.6366000    
 C   -5.594700      0.9499000       1.713200    
 C   -5.858000       1.445000      -1.894000    
 C   -5.938900       1.006800       3.143800    
 H   0.9314000      -1.275400      -2.256200    
 H    2.303200      -2.664400     -0.8913000    
 H   2.2399999E-02  0.2495000      0.2545000    
 H  -0.4715000      0.5746000      -1.394900    
 H   -1.545100      -1.615900      -1.586400    
 H    2.581900      -2.643800       1.528800    
 H    1.364400      -1.375600       1.740100    
 H   -1.673500      -3.190100      0.2585000    
 H  -0.7258000      -2.158800       1.316700    
 H    1.580000      -4.777800      3.7500001E-02
 H  -0.1342000      -5.041900      0.3070000    
 H   0.8111000      -4.164100       1.519700    
 H    4.643700     -0.6791000       2.590500    
 H    1.757300       1.073800      -3.169900    
 H   -2.567000     -0.6310000      0.9869000    
 H    5.251900       2.650500      -1.175300    
 H    3.644600       2.656600      -3.078500    
 H    6.662600      0.6815000       2.025600    
 H    6.661600       1.715600      0.5973000    
 H    5.132600       3.339300       1.785500    
 H    6.637700       3.087200       2.688400    
 H    5.140900       2.294100       3.212900    
 H   -7.273000       1.996700      0.6578000    
 H   -5.075300       2.075200      -2.328000    
 H   -5.949000      0.5239000      -2.478400    
 H   -6.803700       1.988000      -2.001300    
 H   -5.163600       1.536000       3.707800    
 H   -6.886800       1.530300       3.305700    
 H   -6.038200     -1.7000000E-03   3.558400    


%chk=000023511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023511

0 1
O -4.028800 -1.347053 -1.577662
N 0.292167 -2.741408 -0.775538
N 5.078508 0.466635 1.247289
N -2.448712 -0.181893 -0.283963
N -4.724769 0.227526 0.046839
N -4.317205 1.141857 1.039659
C 1.233786 -0.520853 -1.336944
C 1.504045 -1.897081 -0.632473
C -0.047564 0.151322 -0.764518
C -1.253932 -0.802106 -0.878690
C 2.032480 -1.765485 0.850304
C 2.439405 0.405093 -1.235139
C -0.937795 -2.162777 -0.204226
C 3.298958 0.199813 -0.134400
C 3.195670 -0.804680 0.889513
C 4.465321 0.988790 0.097243
C 0.483180 -4.166446 -0.459230
C 4.297782 -0.617836 1.722805
C 2.774719 1.450609 -2.117990
C 4.796728 2.047444 -0.782634
C 3.934101 2.256292 -1.883942
C 6.275195 1.011222 1.905189
C -3.715390 -0.511346 -0.682730
C 5.967056 2.212899 2.826615
C -6.117620 0.172681 -0.082672
C -6.613403 1.083086 0.859460
C -5.477249 1.657227 1.527983
C -6.848955 -0.704879 -1.055234
C -5.452519 2.686260 2.623246
H 1.032235 -0.757010 -2.401119
H 2.310325 -2.393411 -1.210034
H 0.121443 0.426783 0.297181
H -0.250845 1.090475 -1.311971
H -1.469538 -1.005510 -1.944368
H 2.317173 -2.767715 1.222565
H 1.211512 -1.409227 1.505368
H -1.774530 -2.857788 -0.399204
H -0.885915 -2.009332 0.904679
H 1.379812 -4.543595 -0.984284
H -0.389276 -4.742171 -0.818737
H 0.605981 -4.386019 0.630048
H 4.610940 -1.161844 2.613337
H 2.151564 1.652952 -2.997644
H -2.379102 0.516615 0.466858
H 5.677984 2.681858 -0.638032
H 4.165522 3.063646 -2.588551
H 6.746203 0.197642 2.486245
H 6.998811 1.307973 1.122710
H 5.504138 3.037264 2.256604
H 6.896762 2.590720 3.290433
H 5.270068 1.920620 3.631454
H -7.663003 1.305135 1.041288
H -6.556901 -0.487657 -2.097180
H -6.619658 -1.771972 -0.891317
H -7.934776 -0.547507 -0.944475
H -4.412658 2.910747 2.911846
H -5.934897 3.626503 2.298811
H -5.994062 2.330010 3.518734


