%chk=000117073.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117073

1 1
 S   -2.903500       1.363300     -0.7104000    
 O    6.174200      -2.432700     -0.3021000    
 O   -7.997100      0.4677000     -2.2000000E-03
 N    5.544400      0.2628000      0.1932000    
 N   -2.695300      -1.019400      4.4700000E-02
 N  -3.6800001E-02  0.3310000      0.6301000    
 N  -0.6057000     -2.4400000E-02 -0.4499000    
 C    6.178700     -0.1430000      -1.045400    
 C    6.373400      0.6373000       1.321400    
 C    4.138300      0.2797000      0.3033000    
 C    5.786900      -1.581400      -1.374600    
 C    5.751000      0.8125000      -2.151800    
 C    6.496400       2.147400       1.434900    
 C    3.428100       1.437900     -1.3000000E-02
 C    3.458100     -0.8613000      0.7285000    
 C   -4.048400     -0.7678000      7.4299999E-02
 C    2.037600       1.454900      9.5899999E-02
 C    2.067500     -0.8442000      0.8373000    
 C    1.364200      0.3138000      0.5204000    
 C   -4.363200      0.5270000     -0.3193000    
 C   -1.950300     -7.8999996E-03 -0.3441000    
 C   -5.053000      -1.671200      0.4493000    
 C   -5.692300      0.9712000     -0.3540000    
 C   -2.124300      -2.296800      0.4112000    
 C   -6.693400      6.7900002E-02  2.0900000E-02
 C   -6.380200      -1.232300      0.4162000    
 C   -8.255300       1.807700     -0.4149000    
 H    7.269700     -8.8699996E-02 -0.9432000    
 H    5.956100      0.2328000       2.251800    
 H    7.375600      0.2022000       1.228600    
 H    4.716000      -1.711000      -1.557000    
 H    6.306600      -1.920700      -2.277600    
 H    5.941200       1.855600      -1.876800    
 H    4.692700      0.7114000      -2.414400    
 H    6.322300      0.6056000      -3.063900    
 H    7.184500       2.409000       2.245200    
 H    6.881300       2.584400      0.5077000    
 H    5.532300       2.615300       1.655700    
 H    3.941400       2.337500     -0.3421000    
 H    3.992800      -1.766700      0.9996000    
 H    1.491900       2.361700     -0.1511000    
 H    1.545500      -1.735800       1.174200    
 H    7.132700      -2.328700     -0.1757000    
 H   -4.832600      -2.686300      0.7634000    
 H   -5.878400       1.990600     -0.6689000    
 H   -2.630200      -3.098600     -0.1364000    
 H   -1.059500      -2.368200      0.1743000    
 H   -2.250900      -2.452400       1.487300    
 H   -7.172900      -1.918700      0.7044000    
 H   -9.339700       1.954500     -0.3736000    
 H   -7.951400       1.975900      -1.453700    
 H   -7.810100       2.534900      0.2726000    


%chk=000117073-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117073

1 1
S -2.844495 -0.772327 0.939814
O 7.217287 1.031442 2.064791
O -8.199421 -0.541445 0.699282
N 5.570234 0.161653 -0.115805
N -3.105750 1.005227 -1.033098
N -0.032380 -0.182382 0.284746
N -0.816507 0.551113 -0.540067
C 6.537805 -0.742249 0.600343
C 6.231510 1.226611 -0.932659
C 4.202759 0.073415 -0.032527
C 6.710839 -0.344814 2.082253
C 6.297423 -2.254736 0.390142
C 6.586818 0.759668 -2.359960
C 3.359723 0.848907 -0.929779
C 3.532209 -0.767960 0.937051
C -4.432499 0.683912 -0.670230
C 1.978202 0.790773 -0.860814
C 2.148284 -0.818158 1.006026
C 1.323700 -0.045061 0.115875
C -4.502941 -0.266458 0.383286
C -2.134327 0.355321 -0.315641
C -5.618894 1.205794 -1.242206
C -5.729683 -0.722151 0.891766
C -2.792615 1.972386 -2.107776
C -6.914328 -0.194977 0.312492
C -6.849952 0.762352 -0.746080
C -8.369175 -1.523933 1.782865
H 7.510300 -0.514498 0.127760
H 5.584102 2.118119 -0.954487
H 7.137718 1.521532 -0.378179
H 5.755517 -0.410729 2.639955
H 7.441720 -1.041207 2.543295
H 6.084866 -2.465981 -0.671822
H 5.476342 -2.675939 0.990667
H 7.218356 -2.799902 0.662475
H 7.098638 1.575817 -2.899813
H 7.269423 -0.108709 -2.342514
H 5.688365 0.474987 -2.935398
H 3.818330 1.471997 -1.700548
H 4.109892 -1.351311 1.652456
H 1.361264 1.368591 -1.554978
H 1.646612 -1.441134 1.753173
H 7.384759 1.353056 2.984789
H -5.585903 1.938397 -2.053154
H -5.764293 -1.454376 1.701779
H -3.210633 2.960852 -1.852762
H -1.701070 2.045221 -2.199661
H -3.223615 1.622390 -3.060922
H -7.792040 1.136319 -1.155506
H -9.456075 -1.628449 1.900778
H -7.923231 -1.153308 2.724731
H -7.926268 -2.498355 1.504098


