%chk=000178603.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178603

0 1
 S   0.5284000       1.910600     -0.1502000    
 P  -0.1041000      0.3266000       1.061800    
 O  -0.2422000       3.053700      0.2987000    
 O   0.4553000       1.447300      -1.521900    
 N   0.9814000     -0.8812000      0.5428000    
 N   -1.595700     -4.3600000E-02  0.3023000    
 C    1.215800     -0.9785000     -0.8971000    
 C    2.220500      -1.021800       1.324500    
 C   -2.687700      0.8907000      0.6208000    
 C   -2.036900      -1.441000      0.4421000    
 C    1.756600      -2.366700      -1.263900    
 C    3.334100      -1.799600      0.6086000    
 C   -3.912700      0.6530000     -0.2653000    
 C   -3.243200      -1.745300     -0.4492000    
 C    2.761500      -2.915400     -0.2503000    
 C   -4.394400     -0.7882000     -0.1726000    
 C    2.230900       2.226200      0.2310000    
 C    2.732300       3.473300     -0.4622000    
 H    1.964200     -0.2618000      -1.250300    
 H   0.3012000     -0.8720000      -1.492600    
 H    1.969300      -1.565500       2.245400    
 H    2.637700     -6.1900001E-02   1.648400    
 H   -2.395100       1.933300      0.4670000    
 H   -2.980300      0.7962000       1.676000    
 H   -2.293200      -1.661800       1.487800    
 H   -1.252900      -2.150100      0.1516000    
 H    2.226300      -2.312000      -2.253900    
 H   0.9278000      -3.080200      -1.355800    
 H    4.029700      -2.212600       1.347800    
 H    3.913200      -1.115600     -2.4800001E-02
 H   -3.662700      0.8899000      -1.307400    
 H   -4.720800       1.331200      3.1500001E-02
 H   -3.574000      -2.777000     -0.2837000    
 H   -2.948000      -1.669300      -1.503600    
 H    2.260900      -3.647200      0.3963000    
 H    3.563200      -3.453100     -0.7687000    
 H   -4.797800     -0.9777000      0.8296000    
 H   -5.207500     -0.9605000     -0.8861000    
 H    2.313700       2.349400       1.314900    
 H    2.837100       1.377900     -8.6499996E-02
 H    3.785600       3.645900     -0.2206000    
 H    2.642000       3.383900      -1.549600    
 H    2.164700       4.356400     -0.1518000    


%chk=000178603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178603

0 1
S 0.263832 2.111141 -0.075713
P 0.162521 -0.214215 1.698054
O -0.906193 3.256141 0.239128
O 0.106933 1.334927 -1.562848
N 1.318891 -1.167602 0.805520
N -1.412222 -0.605660 1.079423
C 1.468397 -1.339539 -0.666783
C 2.553849 -1.551809 1.563691
C -2.555569 0.172464 1.648836
C -1.815413 -1.518155 -0.015637
C 1.578700 -2.847047 -1.026954
C 3.247732 -2.769954 0.882861
C -3.320990 0.956991 0.556578
C -2.510099 -0.743699 -1.161752
C 2.210174 -3.646784 0.146898
C -3.731700 0.031341 -0.612578
C 1.884023 3.195461 -0.334177
C 1.609215 4.191287 -1.458429
H 2.401766 -0.815161 -0.963002
H 0.666960 -0.798889 -1.197801
H 2.262571 -1.814150 2.596780
H 3.263917 -0.698340 1.615142
H -2.172575 0.865414 2.420857
H -3.232047 -0.557180 2.143056
H -2.529571 -2.249454 0.423754
H -0.939152 -2.080153 -0.368118
H 2.202128 -2.941952 -1.936932
H 0.586427 -3.268433 -1.276166
H 3.786745 -3.348798 1.655198
H 4.007954 -2.418997 0.158972
H -2.684031 1.787956 0.199731
H -4.217277 1.408449 1.025655
H -2.823645 -1.465550 -1.940977
H -1.780751 -0.038850 -1.606010
H 1.420870 -3.946508 0.862703
H 2.679229 -4.575886 -0.225666
H -4.504997 -0.689799 -0.269752
H -4.188258 0.633719 -1.419513
H 2.055239 3.668954 0.646987
H 2.669288 2.458099 -0.570434
H 2.496905 4.829802 -1.629010
H 1.370428 3.658407 -2.395131
H 0.753996 4.837913 -1.195640


