%chk=000200731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200731

0 1
S -3.839075 4.466509 0.273703
O -2.397589 -7.245966 -1.795956
O -3.631289 5.775137 -0.323019
O -4.916024 3.620792 -0.218250
N -0.159683 -1.603377 0.766572
N -1.272777 -4.141039 -0.096106
N 2.944346 -0.133558 0.311628
N 2.389423 1.864841 -0.655134
C 0.538734 -2.451709 -0.252689
C -0.941735 -2.474877 1.707366
C -0.505737 -3.265927 -1.042471
C -1.983199 -3.284958 0.909642
C 0.797522 -0.747404 1.550024
C -2.233380 -5.021581 -0.831007
C 1.604946 0.131650 0.664283
C 1.292009 1.362434 0.050452
C -1.480882 -6.308578 -1.216577
C 3.393596 0.964316 -0.507970
C 0.032279 2.114130 0.092460
C 3.788200 -1.205886 0.622649
C 4.735109 0.937721 -1.004157
C 0.063841 3.520209 0.148430
C -1.201612 1.444450 0.063921
C 5.065636 -1.196240 0.130748
C 5.542720 -0.117172 -0.688738
C -2.356008 3.570096 0.203480
C -1.129492 4.241327 0.196322
C -2.389620 2.175984 0.116591
C -4.100946 4.706908 1.997367
H 1.075497 -1.778912 -0.957670
H 1.287478 -3.138841 0.196031
H -0.297072 -3.170910 2.288019
H -1.469202 -1.821659 2.434862
H -1.159449 -2.573724 -1.618431
H 0.016724 -3.914422 -1.777233
H -2.721726 -2.594417 0.446478
H -2.538452 -3.949661 1.606317
H 1.459584 -1.337760 2.224960
H 0.172000 -0.097246 2.214833
H -3.087807 -5.298982 -0.173667
H -2.683521 -4.546709 -1.726953
H -1.102961 -6.845079 -0.324603
H -0.648573 -6.122026 -1.914536
H 3.384365 -2.005596 1.246777
H 5.058918 1.775845 -1.624543
H 1.024311 4.039830 0.129842
H -1.232174 0.352143 -0.019859
H 5.746435 -2.017371 0.355762
H 6.569919 -0.165502 -1.052468
H -2.734858 -6.919530 -2.651407
H -1.101040 5.336018 0.212628
H -3.351287 1.651998 0.074109
H -3.340277 4.252105 2.639229
H -4.129064 5.773117 2.266465
H -5.065182 4.294962 2.329593


%chk=000200731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200731

0 1
S -4.012429 4.340564 0.186565
O -2.666062 -7.114937 -2.073107
O -3.847671 5.655344 -0.775560
O -5.197617 3.231820 -0.038066
N -0.052552 -1.722819 0.828736
N -1.336013 -4.142737 -0.109023
N 3.060804 -0.115067 0.360474
N 2.455751 1.920832 -0.511994
C 0.529274 -2.514742 -0.283281
C -0.812811 -2.599084 1.756882
C -0.585177 -3.258959 -1.035594
C -1.920767 -3.346051 0.996807
C 0.942249 -0.887786 1.558474
C -2.323669 -5.009705 -0.791103
C 1.704766 0.069088 0.686166
C 1.360572 1.327950 0.125653
C -1.661529 -6.234111 -1.457525
C 3.484233 1.049162 -0.372590
C 0.060993 2.023439 0.155739
C 3.937183 -1.162054 0.626104
C 4.831047 1.120991 -0.823090
C 0.029730 3.421939 -0.113367
C -1.157527 1.329945 0.408103
C 5.249933 -1.078604 0.184324
C 5.707314 0.070362 -0.546790
C -2.359263 3.413932 0.199600
C -1.187494 4.130973 -0.098410
C -2.382548 2.030263 0.434459
C -4.210702 4.998102 1.976535
H 1.046193 -1.826976 -0.976411
H 1.271576 -3.264122 0.092219
H -0.143256 -3.348496 2.248461
H -1.265212 -1.970945 2.548086
H -1.260055 -2.504384 -1.514013
H -0.132832 -3.868859 -1.837466
H -2.665298 -2.598032 0.622937
H -2.442095 -4.029737 1.691620
H 1.662736 -1.526062 2.130736
H 0.378115 -0.305973 2.313674
H -3.042488 -5.386875 -0.040719
H -2.920421 -4.445140 -1.555938
H -1.168208 -6.853279 -0.692797
H -0.899685 -5.924246 -2.203682
H 3.544313 -2.018966 1.176404
H 5.137239 2.010004 -1.379461
H 0.971924 3.926199 -0.347097
H -1.142104 0.237240 0.521650
H 5.929427 -1.907495 0.398824
H 6.745512 0.114591 -0.888629
H -3.133197 -6.619737 -2.793161
H -1.235706 5.198000 -0.340536
H -3.337531 1.515616 0.586770
H -4.230807 4.123066 2.640214
H -3.358671 5.663873 2.170220
H -5.167591 5.538589 1.971070


