%chk=000202389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202389

0 1
S -1.976750 -1.802924 -0.169291
S 2.226423 -2.761735 0.498994
O -2.432210 -1.200784 -1.689056
O 1.984496 -1.611164 -0.723752
O -1.320641 -3.053906 -0.506544
O -3.186658 -1.852960 0.620987
O 1.496345 -2.218075 1.625724
O 3.653598 -2.936331 0.612393
N -3.379659 1.378176 -0.199336
N 3.425766 1.650952 0.033209
C -0.781245 2.853970 0.749218
C 0.698622 3.006102 0.381695
C -1.702496 3.215668 -0.422015
C 1.605827 2.546353 1.529274
C -3.169946 2.866242 -0.116368
C 3.096539 2.595042 1.155392
C -3.542954 0.967132 -1.632282
C 3.157994 0.226120 0.406467
C -4.553108 0.973111 0.630098
C 4.855233 1.827968 -0.368191
C -3.701288 -0.549802 -1.806488
C 2.970621 -0.579359 -0.889422
C -0.829960 -0.673220 0.393388
C 1.450375 -4.122437 -0.186013
H -0.989961 1.801607 1.058159
H -1.023056 3.476626 1.630499
H 0.933676 2.414472 -0.527888
H 0.923316 4.055872 0.116343
H -1.623850 4.296166 -0.647081
H -1.369233 2.689668 -1.339377
H 1.440619 3.178149 2.423006
H 1.330410 1.512649 1.832718
H -3.840135 3.432302 -0.798046
H -3.421583 3.208180 0.911659
H 3.353777 3.619631 0.804264
H 3.707532 2.405655 2.065054
H -2.615929 1.284512 -2.168903
H -4.396520 1.473959 -2.134065
H 2.215811 0.175760 1.009586
H 3.952434 -0.227144 1.038972
H -4.426846 1.348096 1.657447
H -5.528772 1.305053 0.253228
H -4.558935 -0.135941 0.714038
H 5.588589 1.619409 0.425110
H 5.004515 2.862133 -0.717464
H 5.078256 1.166800 -1.220203
H -4.434588 -0.993525 -1.103053
H -4.002719 -0.790383 -2.846785
H 2.533374 0.037475 -1.702267
H 3.910014 -1.047692 -1.233944
H -1.251252 0.343934 0.596481
H -0.309281 -0.979951 1.327539
H 0.009952 -0.493831 -0.310888
H 1.945301 -4.535606 -1.077094
H 1.308387 -4.967125 0.504976
H 0.397171 -3.903649 -0.533806


%chk=000202389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202389

0 1
S -2.184212 -2.129112 -0.207873
S 2.405295 -3.001554 0.507694
O -2.410959 -1.126759 -1.792316
O 1.968588 -1.583284 -0.669602
O -1.384101 -3.467744 -0.636351
O -3.628035 -2.255668 0.527016
O 1.614959 -2.753786 1.900470
O 4.019964 -3.164405 0.508154
N -3.444256 1.416896 -0.208417
N 3.497368 1.746822 0.082416
C -0.707426 3.023970 0.712644
C 0.781172 3.129534 0.315754
C -1.678087 3.239875 -0.470406
C 1.733498 2.907202 1.511826
C -3.143172 2.884802 -0.126166
C 3.223121 2.776101 1.123097
C -3.667036 1.024484 -1.626239
C 3.034735 0.390291 0.456691
C -4.601960 1.056595 0.655036
C 4.920095 1.769284 -0.324644
C -3.736723 -0.484306 -1.901248
C 3.033928 -0.558809 -0.759595
C -1.059512 -0.930368 0.721333
C 1.568029 -4.369253 -0.498550
H -0.893860 2.023503 1.153479
H -0.936638 3.760335 1.511843
H 1.011470 2.386464 -0.472240
H 0.982411 4.123125 -0.136171
H -1.631811 4.300611 -0.791181
H -1.338631 2.639802 -1.337886
H 1.649301 3.754198 2.222672
H 1.409684 2.011726 2.080516
H -3.842930 3.456563 -0.785230
H -3.351448 3.211799 0.910413
H 3.575465 3.742838 0.711693
H 3.819543 2.583688 2.053321
H -2.846093 1.441900 -2.235957
H -4.621766 1.471015 -2.016109
H 1.992310 0.463892 0.808943
H 3.635600 -0.053611 1.290688
H -4.400454 1.388689 1.688146
H -5.556029 1.530205 0.315817
H -4.737355 -0.037466 0.680678
H 5.616600 1.471690 0.499516
H 5.191641 2.788734 -0.651777
H 5.089842 1.087676 -1.175937
H -4.459828 -1.003292 -1.240775
H -4.047304 -0.657352 -2.948820
H 2.755579 0.004107 -1.670626
H 4.008102 -1.060953 -0.914811
H -1.638451 0.009029 0.723657
H -0.875666 -1.373345 1.710410
H -0.140118 -0.879396 0.119003
H 2.106672 -4.399894 -1.454406
H 1.691291 -5.288001 0.092364
H 0.512991 -4.061687 -0.605660


