%chk=000178595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178595

0 1
 S  -3.6699999E-02  -1.279700     -0.6372000    
 P   0.8392000     -2.4800001E-02  0.7961000    
 O   0.3158000      -2.615700     -5.2499998E-02
 N    2.475900     -0.2929000      0.4326000    
 N   0.4467000       1.477800      0.1097000    
 C    3.072100      -1.538000      0.9174000    
 C    2.885700     -0.1913000     -0.9681000    
 C  -0.9269000       1.951600      0.2810000    
 C    1.292300       2.621700      0.4509000    
 C    4.450600      -1.555700      0.2711000    
 C    4.338500     -0.6414000     -0.9417000    
 C  -0.8914000       3.372100     -0.2660000    
 C   0.5694000       3.795900     -0.1914000    
 C   -1.789900      -1.033800     -0.2960000    
 C   -2.238300      -1.015000       1.019500    
 C   -2.678900     -0.8670000      -1.351300    
 C   -3.595000     -0.8267000       1.283500    
 C   -4.035500     -0.6785000      -1.087500    
 C   -4.493600     -0.6585000      0.2299000    
 H    2.539600      -2.440200      0.6045000    
 H    3.157500      -1.558200       2.009900    
 H    2.813600      0.8221000      -1.376000    
 H    2.353700     -0.8655000      -1.647600    
 H   -1.230500       1.969800       1.335900    
 H   -1.672700       1.416100     -0.2983000    
 H    2.314900       2.549500      6.7500003E-02
 H    1.344600       2.773600       1.537700    
 H    4.743900      -2.570700     -1.6000001E-02
 H    5.210800      -1.169100      0.9598000    
 H    5.007100      0.2189000     -0.8184000    
 H    4.621900      -1.155600      -1.865700    
 H   -1.534300       4.038800      0.3179000    
 H   -1.233400       3.403100      -1.307300    
 H   0.9526000       3.979100      -1.202400    
 H   0.6976000       4.715600      0.3880000    
 H   -1.576400      -1.178200       1.864500    
 H   -2.335100     -0.8799000      -2.382000    
 H   -3.953300     -0.8189000       2.308700    
 H   -4.735200     -0.5475000      -1.907700    
 H   -5.550100     -0.5135000      0.4353000    


%chk=000178595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178595

0 1
S -0.567244 -0.661031 -1.478968
P 0.343269 0.950657 0.642670
O 0.618831 -1.882131 -1.445888
N 1.906262 0.190927 0.724385
N 0.634313 2.454123 -0.202598
C 2.080178 -0.884734 1.754769
C 2.919497 0.009663 -0.372491
C -0.531155 3.323232 -0.512601
C 1.890333 3.036023 -0.744126
C 2.744683 -2.034474 0.973285
C 3.698714 -1.278887 0.013610
C 0.104772 4.727549 -0.602077
C 1.472805 4.438549 -1.276020
C -1.975376 -1.403477 -0.488707
C -1.821711 -2.727204 -0.030851
C -3.156444 -0.669052 -0.244155
C -2.874540 -3.327188 0.696697
C -4.203777 -1.278733 0.485149
C -4.064945 -2.606737 0.957180
H 1.106233 -1.161857 2.197136
H 2.737900 -0.516786 2.569049
H 3.594580 0.882512 -0.434522
H 2.393903 -0.130425 -1.333352
H -1.299490 3.241376 0.278743
H -1.000327 3.040504 -1.479842
H 2.315494 2.416456 -1.556057
H 2.643822 3.098577 0.064797
H 1.976819 -2.558872 0.378890
H 3.272357 -2.744369 1.633639
H 4.643961 -1.019257 0.527231
H 3.941044 -1.875360 -0.881061
H 0.248831 5.137947 0.413467
H -0.513436 5.434793 -1.180864
H 1.351281 4.403803 -2.373804
H 2.229541 5.207138 -1.045403
H -0.884892 -3.249654 -0.263068
H -3.266151 0.358400 -0.613322
H -2.768077 -4.357665 1.055085
H -5.125407 -0.718996 0.682070
H -4.879650 -3.075940 1.520226


