%chk=000085484.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085484

0 1
 S    2.239100       1.902300      -1.006200    
 S    2.946900      0.6363000       2.179600    
 P    2.622800      0.2634000      0.2853000    
 O    1.415900     -0.8010000      1.6300000E-02
 O  -0.6695000       1.963200       2.166800    
 O  -0.6265000       1.359000      -2.426700    
 N  -0.3070000       1.920700     -0.1601000    
 C   0.2120000      -2.892300      0.1046000    
 C    1.476200      -2.128600      0.5082000    
 C    4.017200     -0.5824000     -0.5077000    
 C   0.8534000       2.783000     -0.2613000    
 C   -2.046700      0.7366000      0.6773000    
 C   -2.032900      0.5565000     -0.6980000    
 C  -0.9316000       1.614100       1.030800    
 C  -0.9087000       1.316400      -1.243600    
 C   6.8999998E-02  -2.968900      -1.416900    
 C   0.2214000      -4.295100      0.7080000    
 C    5.305300      0.2067000     -0.4049000    
 C   -2.995900      0.1409000       1.482200    
 C   -2.967400     -0.2290000      -1.340900    
 C   -3.953500     -0.6592000      0.8525000    
 C   -3.939400     -0.8425000     -0.5453000    
 H  -0.6604000      -2.349800      0.4896000    
 H    1.563000      -2.103200       1.598900    
 H    2.354000      -2.638400      0.1027000    
 H    4.184000      -1.553800     -3.2699998E-02
 H    3.774200     -0.7693000      -1.559200    
 H    1.132100       3.170100      0.7224000    
 H   0.5922000       3.622300     -0.9130000    
 H  -0.8425000      -3.509600      -1.693300    
 H   0.9209000      -3.487500      -1.869700    
 H   7.1000000E-03  -1.969800      -1.860100    
 H  -0.6952000      -4.835700      0.4492000    
 H   0.2835000      -4.247900       1.800300    
 H    1.073500      -4.879500      0.3445000    
 H    6.109300     -0.3145000     -0.9343000    
 H    5.202700       1.202100     -0.8454000    
 H    5.619600      0.3305000      0.6350000    
 H   -3.006200      0.2807000       2.556700    
 H   -2.955700     -0.3714000      -2.415000    
 H   -4.720400      -1.148900       1.447000    
 H   -4.695400      -1.471000      -1.008600    


%chk=000085484-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085484

0 1
S 1.550955 0.694473 -1.535397
S 3.224122 0.550324 1.761833
P 3.072797 -0.362671 -0.104124
O 2.677740 -2.053121 -0.129836
O -0.869087 -0.393627 0.977923
O -1.333995 3.565606 -1.537618
N -0.749200 1.645506 -0.250347
C 1.328423 -4.009529 0.419337
C 1.668466 -2.573579 0.842449
C 4.617500 -0.430042 -1.166842
C 0.687392 1.837572 -0.277678
C -2.880384 0.765181 0.084857
C -3.024493 1.951587 -0.675136
C -1.424535 0.544607 0.358317
C -1.666720 2.531146 -0.913544
C 2.569310 -4.929193 0.456779
C 0.199344 -4.540065 1.336868
C 5.254092 0.955318 -1.362508
C -3.993117 -0.000402 0.463701
C -4.285223 2.412805 -1.082551
C -5.273598 0.456867 0.056390
C -5.417425 1.644685 -0.705195
H 0.948539 -3.966093 -0.621043
H 0.775760 -1.923367 0.827423
H 2.120598 -2.546548 1.853559
H 5.297292 -1.128296 -0.647352
H 4.310529 -0.889667 -2.122919
H 1.148066 1.624736 0.707990
H 0.888220 2.872500 -0.590309
H 2.313838 -5.947152 0.108579
H 2.962779 -5.011788 1.488637
H 3.373378 -4.532036 -0.186472
H -0.097081 -5.560638 1.033655
H -0.696273 -3.892853 1.293743
H 0.536342 -4.587057 2.390341
H 6.172046 0.856152 -1.968787
H 4.566695 1.642326 -1.886301
H 5.526183 1.408533 -0.393092
H -3.870697 -0.914813 1.052455
H -4.383500 3.330874 -1.670068
H -6.166129 -0.114489 0.332812
H -6.418551 1.971726 -1.005528


