%chk=000087000.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087000

0 1
 S    6.731000      -1.393000     -0.6233000    
 S   -6.655600       1.400900     -0.4027000    
 N    6.592300       1.022100      0.2710000    
 N   -6.646500      -1.027700      0.4655000    
 N   0.2573000      4.1999999E-03 -0.5717000    
 N  -0.2563000     -5.2999998E-03  0.5717000    
 C    8.213000     -0.6093000     -0.2205000    
 C   -8.179600      0.6131000     -0.2323000    
 C    7.936700      0.6809000      0.2423000    
 C   -7.972600     -0.6843000      0.2461000    
 C    5.873200      1.2400000E-02 -0.1602000    
 C   -5.872100     -1.2400000E-02  0.1593000    
 C    4.433500      1.1000000E-02 -0.2671000    
 C   -4.433200     -1.1400000E-02  0.2636000    
 C    10.57340     -0.2632000      8.3099999E-02
 C   -10.55870      0.2655000     -0.2815000    
 C    9.525500      -1.100600     -0.3077000    
 C   -9.465900       1.107400     -0.5026000    
 C    9.014100       1.506400      0.6309000    
 C   -9.094400      -1.514200      0.4609000    
 C    10.32330       1.023700      0.5466000    
 C   -10.37770      -1.028600      0.1938000    
 C    3.736300       1.217700     -0.3086000    
 C   -3.735300      -1.218200      0.3060000    
 C    3.741600      -1.198100     -0.3267000    
 C   -3.740200       1.197700      0.3239000    
 C    11.97910     -0.7590000      2.3000001E-03
 C   -11.93810      0.7643000     -0.5591000    
 C    1.652100      6.3000000E-03 -0.4696000    
 C   -1.657900     -7.1000000E-03  0.4687000    
 C    2.345100       1.215400     -0.4098000    
 C   -2.344300      -1.216100      0.4089000    
 C    2.350400      -1.200600     -0.4281000    
 C   -2.349200       1.200000      0.4267000    
 H    9.716700      -2.107300     -0.6684000    
 H   -9.603400       2.119700     -0.8720000    
 H    8.829900       2.513200      0.9949000    
 H   -8.964400      -2.526700      0.8327000    
 H    11.14250       1.670400      0.8514000    
 H   -11.23200      -1.678800      0.3661000    
 H    4.254200       2.172700     -0.2666000    
 H   -4.252800      -2.173200      0.2578000    
 H    4.220600      -2.170900     -0.2718000    
 H   -4.223000       2.170100      0.3232000    
 H    12.09470      -1.492000     -0.8034000    
 H    12.67550      5.9799999E-02 -0.2084000    
 H    12.26600      -1.229700      0.9480000    
 H   -11.93570       1.509100      -1.362300    
 H   -12.59570     -5.0400000E-02 -0.8810000    
 H   -12.36020       1.221400      0.3414000    
 H    1.809900       2.160900     -0.4429000    
 H   -1.808000      -2.160700      0.4414000    
 H    1.818100      -2.147500     -0.4689000    
 H   -1.816500       2.145800      0.4797000    


%chk=000087000-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087000

0 1
S 6.965546 -0.074706 1.630948
S -7.157267 0.054880 1.740694
N 6.857220 -0.060457 -1.067913
N -6.742885 0.072216 -0.928662
N 0.346626 -0.001266 -0.416439
N -0.362154 -0.001608 0.690019
C 8.500767 -0.083590 0.678592
C -8.573908 0.076482 0.620007
C 8.215965 -0.074196 -0.727908
C -8.131464 0.083286 -0.745106
C 6.059549 -0.058545 -0.012956
C -6.070247 0.057172 0.210170
C 4.597386 -0.044739 -0.056718
C -4.612656 0.042569 0.332626
C 10.894340 -0.102316 0.237317
C -10.902175 0.102499 -0.088917
C 9.822693 -0.097475 1.163419
C -9.942041 0.085833 0.952283
C 9.291666 -0.079037 -1.650291
C -9.096213 0.099936 -1.783025
C 10.608587 -0.092853 -1.163160
C -10.459961 0.109260 -1.447974
C 3.945543 -0.031148 -1.324905
C -3.819151 0.043920 -0.857602
C 3.803373 -0.044134 1.129104
C -3.960137 0.026824 1.596809
C 12.334601 -0.118010 0.717390
C -12.387221 0.113761 0.226380
C 1.758509 -0.016462 -0.212913
C -1.773819 0.013814 0.485792
C 2.544957 -0.017136 -1.398525
C -2.421977 0.029748 -0.786317
C 2.404632 -0.030256 1.058730
C -2.558011 0.012663 1.671409
H 10.030725 -0.104594 2.238094
H -10.270785 0.080397 1.996480
H 9.074177 -0.071757 -2.722239
H -8.758873 0.105038 -2.823548
H 11.444712 -0.096527 -1.872329
H -11.210481 0.122004 -2.247116
H 4.562030 -0.031759 -2.228223
H -4.336920 0.056226 -1.821433
H 4.292894 -0.054679 2.110255
H -4.550439 0.025598 2.520149
H 12.398813 -0.114960 1.818622
H 12.868100 -1.015201 0.350742
H 12.889753 0.763177 0.344347
H -12.573835 0.096557 1.313384
H -12.876505 1.016342 -0.185911
H -12.896891 -0.761882 -0.217850
H 2.025621 -0.006377 -2.362067
H -1.804502 0.030545 -1.689148
H 1.787064 -0.029645 1.961376
H -2.038631 0.000366 2.634758


