%chk=000035754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035754

0 1
 S    2.290300      -1.785000       1.921000    
 P    2.330200     -0.4516000      0.4870000    
 O    1.238400     -0.7528000     -0.6888000    
 O   -2.975600      0.7616000      0.3908000    
 O    1.794400       1.016900      0.9592000    
 O   -2.813900      -1.533900      0.5749000    
 N    3.777700     -0.1867000     -0.2955000    
 C   -4.336400      0.7143000     -5.1300000E-02
 C    3.905000      0.9004000      -1.254600    
 C  -7.2300002E-02  -1.020600     -0.4693000    
 C   -4.384700      0.1557000      -1.465300    
 C   -4.937200       2.109600      2.7700000E-02
 C    5.363900       1.197100      -1.557600    
 C  -0.8864000     -0.1525000      0.1508000    
 C   -2.320900     -0.4318000      0.3984000    
 C  -0.5475000      -2.352000     -0.9657000    
 C    2.574800       1.811200       1.838300    
 H   -4.904100      6.3000001E-02  0.6250000    
 H    3.440900       1.814000     -0.8718000    
 H    3.382300      0.6337000      -2.179300    
 H    4.251000      -1.013300     -0.6591000    
 H   -5.399100      0.2151000      -1.873300    
 H   -4.078800     -0.8936000      -1.511400    
 H   -3.712600      0.7119000      -2.128600    
 H   -4.381800       2.810000     -0.6056000    
 H   -4.874100       2.494100       1.051400    
 H   -5.986500       2.111200     -0.2825000    
 H    5.903200       1.491400     -0.6510000    
 H    5.865300      0.3231000      -1.986700    
 H    5.441200       2.017500      -2.278300    
 H  -0.5379000      0.8288000      0.4508000    
 H   0.1781000      -2.775200      -1.669800    
 H   -1.495000      -2.275000      -1.508300    
 H  -0.6523000      -3.060700     -0.1383000    
 H    2.305700       2.860000       1.690700    
 H    2.351700       1.530600       2.870700    
 H    3.644300       1.690000       1.651100    


%chk=000035754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035754

0 1
S 1.620708 0.117417 2.641037
P 2.168398 0.166795 0.654961
O 1.461159 -0.962507 -0.510169
O -3.022493 0.465816 0.248260
O 1.784303 1.596983 -0.264435
O -2.914318 -1.367090 -1.202763
N 3.828022 -0.115868 0.367871
C -4.521633 0.460947 0.123370
C 4.451130 -0.164169 -0.976219
C 0.089688 -1.142081 -0.783301
C -4.917696 1.218604 -1.152963
C -5.035337 1.103748 1.414017
C 5.888771 0.382499 -0.925550
C -0.884637 -0.352391 -0.233100
C -2.324655 -0.515157 -0.479965
C -0.077825 -2.298803 -1.727751
C 1.996378 2.901869 0.400567
H -4.838397 -0.595989 0.044619
H 3.831377 0.448391 -1.654247
H 4.442461 -1.200381 -1.368440
H 4.349116 -0.521330 1.149471
H -6.018937 1.250791 -1.247189
H -4.509410 0.715724 -2.045446
H -4.540185 2.256221 -1.119074
H -4.671123 2.142464 1.504079
H -4.692441 0.537571 2.296759
H -6.140465 1.119559 1.413665
H 5.897934 1.430480 -0.579616
H 6.521573 -0.213819 -0.241521
H 6.347544 0.338358 -1.929869
H -0.622288 0.467947 0.440267
H 0.489370 -2.108677 -2.657214
H -1.142947 -2.442874 -1.960977
H 0.333531 -3.217545 -1.271401
H 1.584411 3.641887 -0.301342
H 1.456473 2.943604 1.364003
H 3.073742 3.087504 0.565305


