%chk=000235632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235632

0 1
S 2.540082 -1.868877 -0.048940
S -2.519886 1.850913 -0.054242
O 2.544506 -2.579368 -1.312802
O 2.543701 -2.576923 1.216289
O -2.517894 2.558889 -1.319595
O -2.518404 2.561845 1.209448
N 1.117550 -0.906943 -0.050342
N -1.105595 0.877996 -0.052836
C 0.762688 -0.175719 -1.292971
C 0.762079 -0.172974 1.190491
C -0.750726 0.143969 -1.293610
C -0.751359 0.146614 1.189679
C 3.851292 -0.739190 -0.049599
C -3.840640 0.732551 -0.053185
C 4.390067 -0.288262 1.159848
C -4.384034 0.289029 1.156940
C 4.390646 -0.290350 -1.259578
C -4.383322 0.285908 -1.262506
C 5.441871 0.627519 1.164400
C -5.443058 -0.618382 1.162885
C 5.442443 0.625410 -1.265205
C -5.442324 -0.621498 -1.266731
C 5.975063 1.093378 -0.050670
C -5.977653 -1.084473 -0.051468
C 7.088453 2.085674 -0.051405
C -7.117627 -2.046093 -0.050792
H 0.999854 -0.819884 -2.172550
H 1.338557 0.773159 -1.389907
H 1.337839 0.776160 1.285570
H 0.998870 -0.815143 2.071619
H -0.987750 0.785607 -2.175011
H -1.326643 -0.805182 -1.387858
H -1.327263 -0.802378 1.285613
H -0.988894 0.790078 2.069600
H 3.993574 -0.663242 2.110232
H -3.985340 0.663230 2.106712
H 3.994605 -0.666975 -2.209498
H -3.984062 0.657669 -2.212995
H 5.853372 0.976797 2.109533
H -5.859822 -0.960120 2.108475
H 5.854417 0.973076 -2.210726
H -5.858572 -0.965697 -2.211655
H 7.739244 1.989107 -0.931961
H 6.692630 3.113961 -0.056661
H 7.734394 1.996264 0.833441
H -7.121845 -2.695759 0.835781
H -8.079326 -1.508215 -0.058388
H -7.113658 -2.706060 -0.929766


%chk=000235632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235632

0 1
S 2.562700 -1.980702 -0.048973
S -2.545638 1.964019 -0.054357
O 2.586800 -2.748893 -1.481300
O 2.585838 -2.746252 1.384780
O -2.565823 2.729353 -1.488310
O -2.566420 2.732637 1.377826
N 0.951762 -1.018978 -0.050412
N -0.938724 0.997216 -0.052917
C 0.747427 -0.234963 -1.294417
C 0.746479 -0.232775 1.192056
C -0.733873 0.211038 -1.295323
C -0.734814 0.213256 1.191044
C 3.981505 -0.725890 -0.049663
C -3.971464 0.717114 -0.053170
C 4.485935 -0.289871 1.186739
C -4.477081 0.284372 1.183904
C 4.486624 -0.292011 -1.286563
C -4.476186 0.280870 -1.289432
C 5.541208 0.648552 1.172070
C -5.534559 -0.651589 1.170709
C 5.541861 0.646417 -1.272945
C -5.533612 -0.655033 -1.274383
C 6.076243 1.135765 -0.050703
C -6.074839 -1.134670 -0.051335
C 7.190975 2.165090 -0.051415
C -7.234130 -2.113619 -0.050558
H 0.942629 -0.890826 -2.159979
H 1.395395 0.667680 -1.344727
H 1.394414 0.669953 1.241280
H 0.941016 -0.887116 2.058919
H -0.928380 0.865318 -2.162242
H -1.381940 -0.691593 -1.344343
H -1.382962 -0.689252 1.241198
H -0.929932 0.869095 2.056649
H 4.089905 -0.697740 2.122606
H -4.075251 0.687269 2.119448
H 4.091104 -0.701513 -2.221932
H -4.073682 0.681158 -2.225806
H 5.959414 1.000019 2.122225
H -5.949136 -1.005772 2.121465
H 5.960600 0.996236 -2.223481
H -5.947489 -1.011915 -2.224449
H 7.833947 2.066891 -0.943025
H 6.776595 3.191853 -0.056614
H 7.828846 2.073769 0.844549
H -7.224885 -2.754600 0.847792
H -8.201291 -1.574675 -0.059980
H -7.215008 -2.767595 -0.939403


