%chk=000100480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100480

0 1
 S    1.782600     -0.8513000       1.290200    
 S  -0.6661000      -1.381300       2.984100    
 O  -0.1280000     -0.7382000      -2.024700    
 O    8.340200       2.463300      0.4944000    
 O   -8.670500       2.355200      5.9999999E-02
 N  -0.5461000      -1.053700      0.2587000    
 N    8.101100      0.1453000      0.1361000    
 N   -1.883200      -1.222800      0.1341000    
 N   -8.163600      6.4499997E-02 -0.1735000    
 C    4.070600     -0.2881000     -0.9037000    
 C    1.646800     -0.6758000     -0.4183000    
 C    2.669700     -0.4394000      -1.265100    
 C    6.757600      8.9999998E-04 -0.2113000    
 C    4.584800      0.9764000     -0.6174000    
 C    4.899900      -1.408200     -0.8438000    
 C   0.2375000     -0.8190000     -0.8607000    
 C    5.928300       1.120900     -0.2712000    
 C    6.243300      -1.263700     -0.4976000    
 C   -3.990700     -6.4999998E-02  0.1190000    
 C   -6.772400      2.1700000E-02 -7.5900003E-02
 C   -4.659000       1.155600      0.2159000    
 C   -4.713500      -1.242300     -7.5300001E-02
 C   5.2099999E-02  -1.113200       1.502700    
 C   -6.049800       1.198900      0.1185000    
 C   -6.104300      -1.198800     -0.1728000    
 C   -2.541100     -0.1108000      0.2215000    
 C    8.790400       1.322700      0.4556000    
 C   -9.001900       1.185200     -0.1013000    
 C    10.23920       1.053100      0.7759000    
 C   -10.45400      0.8079000     -0.2539000    
 H    2.472000     -0.3441000      -2.330800    
 H    3.950300       1.858600     -0.6605000    
 H    4.514100      -2.400600      -1.064800    
 H    6.253600       2.130700     -6.3600004E-02
 H    6.877900      -2.145200     -0.4548000    
 H   -4.108500       2.080600      0.3676000    
 H   -4.221200      -2.207800     -0.1543000    
 H   -6.496200       2.179800      0.2035000    
 H   -6.654900      -2.123900     -0.3242000    
 H   -2.021400      0.8539000      0.3768000    
 H    8.639300     -0.7185000      0.1574000    
 H   -8.616900     -0.8359000     -0.3146000    
 H    10.30870      0.4000000       1.650400    
 H    10.75220       1.994000      0.9929000    
 H    10.72530      0.5734000     -7.8299999E-02
 H   -10.61700      0.3563000      -1.236500    
 H   -11.08030       1.699800     -0.1641000    
 H   -10.73690      9.6400000E-02  0.5272000    


%chk=000100480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100480

0 1
S 1.742797 -2.087648 0.810208
S -0.878037 -3.606118 1.356470
O -0.113632 1.149799 -0.482302
O 9.163556 2.092825 -0.711781
O -9.065058 2.024413 -0.995745
N -0.647973 -1.020140 0.356153
N 8.414340 0.019661 0.100996
N -2.053445 -0.993165 0.329813
N -8.437951 -0.062599 -0.117152
C 4.144782 0.297787 -0.075357
C 1.668464 -0.392010 0.149952
C 2.702123 0.459409 -0.163674
C 7.006316 0.164040 0.023089
C 4.964635 1.392128 -0.491889
C 4.810375 -0.876214 0.397843
C 0.264180 0.029021 -0.038439
C 6.366216 1.344100 -0.450473
C 6.208883 -0.939093 0.444904
C -4.173806 0.024989 -0.104754
C -7.019933 0.019169 -0.134648
C -4.904128 1.151283 -0.571283
C -4.896310 -1.116178 0.351691
C -0.090499 -2.227984 0.834603
C -6.311428 1.163153 -0.592291
C -6.295895 -1.117004 0.336361
C -2.707649 0.069679 -0.107395
C 9.411980 0.942192 -0.251518
C -9.377817 0.891680 -0.527622
C 10.838982 0.448092 -0.031649
C -10.833477 0.458746 -0.367448
H 2.351795 1.429823 -0.548541
H 4.479143 2.304598 -0.858368
H 4.240438 -1.747356 0.732825
H 6.974523 2.190052 -0.773200
H 6.694741 -1.852203 0.812154
H -4.359837 2.035560 -0.924945
H -4.333195 -1.983288 0.710515
H -6.868648 2.029254 -0.951784
H -6.842747 -2.001095 0.689863
H -2.221519 0.983424 -0.472082
H 8.743028 -0.878990 0.462124
H -8.818590 -0.940361 0.243924
H 11.342019 1.115263 0.689616
H 11.392588 0.522437 -0.983117
H 10.905582 -0.589500 0.338813
H -11.326115 0.489150 -1.354595
H -11.353778 1.187113 0.277983
H -10.960019 -0.550395 0.061653


