%chk=000058361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058361

0 1
 O   -3.215300     -0.3469000      4.8500001E-02
 N    5.746800     -0.7991000      2.7200000E-02
 N    9.322600      -1.848100     -3.7599999E-02
 C    3.563600      0.3153000      2.0199999E-02
 C    2.845800       1.667000     -1.2300000E-02
 C    5.080000      0.4965000     -2.5100000E-02
 C    1.347500       1.503100     -5.7000001E-03
 C    7.193800     -0.6404000     -4.6000001E-03
 C   0.6683000       1.398400      -1.210200    
 C   0.6723000       1.459100       1.205100    
 C   -1.409500       1.200300      6.8999999E-03
 C  -0.7183000       1.246100      -1.203900    
 C  -0.7142000       1.306700       1.211300    
 C    7.873200      -2.006400      1.2200000E-02
 C   -2.891700       1.037800      1.3400000E-02
 C   -4.546300     -0.6705000      2.0199999E-02
 C   -5.499400      0.3400000     -4.0100001E-02
 C   -4.930900      -2.006200      5.2900001E-02
 C   -6.854600      1.0600000E-02 -6.7800000E-02
 C   -6.286000      -2.335700      2.4900001E-02
 C   -7.247700      -1.327300     -3.5399999E-02
 H    3.238600     -0.2982000     -0.8305000    
 H    3.281400     -0.2320000      0.9293000    
 H    3.152900       2.278000      0.8464000    
 H    3.147400       2.233300     -0.9030000    
 H    5.354800       1.028400     -0.9443000    
 H    5.393000       1.112400      0.8266000    
 H    5.443900      -1.373300     -0.7592000    
 H    7.525500     -5.7999998E-02  0.8641000    
 H    7.492900     -9.4300002E-02 -0.9085000    
 H    1.197800       1.430300      -2.158100    
 H    1.205200       1.538600       2.148400    
 H   -1.247700       1.161200      -2.149300    
 H   -1.240600       1.269600       2.161500    
 H    7.605700      -2.553500      0.9232000    
 H    7.549200      -2.608000     -0.8449000    
 H   -3.298100       1.554400      0.8934000    
 H   -3.290300       1.510900     -0.8942000    
 H    9.586600      -1.369800     -0.8981000    
 H    9.761500      -2.767100     -7.5700000E-02
 H   -5.269800       1.399200     -6.4300001E-02
 H   -4.185000      -2.794600      0.1002000    
 H   -7.604600      0.7949000     -0.1138000    
 H   -6.592200      -3.377400      5.0299998E-02
 H   -8.302900      -1.583800     -5.6800000E-02


%chk=000058361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058361

0 1
O -3.240444 -0.235823 -0.020702
N 5.774929 -0.767190 -0.052971
N 9.274437 -2.187680 0.042264
C 3.607502 0.451852 -0.065626
C 2.905730 1.837302 -0.111837
C 5.143571 0.567138 -0.107483
C 1.390016 1.717638 -0.069870
C 7.252084 -0.762032 -0.050954
C 0.622552 1.709191 -1.263052
C 0.707253 1.568852 1.165614
C -1.455413 1.401921 0.011473
C -0.779747 1.553962 -1.223940
C -0.694181 1.414183 1.206532
C 7.801589 -2.193749 0.101955
C -2.953213 1.221558 0.052818
C -4.591029 -0.626576 -0.004402
C -5.689670 0.266649 0.078897
C -4.813564 -2.025751 -0.079578
C -7.005753 -0.253874 0.085111
C -6.129523 -2.526617 -0.072151
C -7.236201 -1.644422 0.010033
H 3.254018 -0.160170 -0.921279
H 3.314092 -0.090877 0.852431
H 3.263305 2.441720 0.745426
H 3.218930 2.368284 -1.032221
H 5.444131 1.156327 -1.013913
H 5.493565 1.145592 0.771502
H 5.400763 -1.387596 -0.785930
H 7.607265 -0.157212 0.803587
H 7.689854 -0.298270 -0.974866
H 1.129307 1.830548 -2.228442
H 1.280284 1.579377 2.101066
H -1.355497 1.546971 -2.157492
H -1.203477 1.297382 2.170875
H 7.486692 -2.582443 1.086667
H 7.317867 -2.846397 -0.669977
H -3.380920 1.622827 0.994072
H -3.442006 1.725676 -0.805567
H 9.661408 -1.895249 -0.859767
H 9.724137 -3.032369 0.403711
H -5.538882 1.348475 0.138554
H -3.946343 -2.690499 -0.142326
H -7.852868 0.438803 0.149433
H -6.293064 -3.608641 -0.130537
H -8.258287 -2.037286 0.015664


