%chk=000291519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291519

0 1
S 3.795296 -1.218372 -0.103468
S -3.710816 0.932081 -0.640669
O 3.419613 -1.984952 -1.276880
O 3.736749 -1.861123 1.198108
O -3.167790 1.047220 -1.975977
O -4.056767 2.145466 0.088177
N 2.747786 0.141044 -0.033472
N -2.576367 0.072899 0.311285
C 0.670781 -1.063865 0.610259
C -0.573864 -0.727640 1.464246
C 0.277493 -1.794701 -0.691068
C -1.349876 -2.012192 1.808093
C 1.491325 0.173620 0.262413
C -1.384213 0.324107 0.704959
C 0.797100 1.495473 0.274182
C -0.594873 1.581449 0.507750
C -0.686336 -2.910551 -0.429943
C -1.418064 -3.002570 0.684194
C 1.534480 2.671122 0.074005
C -1.207096 2.834957 0.590479
C 0.907974 3.921185 0.132519
C -0.458096 4.002926 0.400444
C 5.340451 -0.488646 -0.335804
C -5.063482 -0.141301 -0.636350
C 6.168794 -0.249426 0.765754
C -6.172678 0.145440 0.166359
C 5.762115 -0.143621 -1.623826
C -5.048663 -1.288810 -1.434972
C 7.422045 0.340783 0.579221
C -7.271875 -0.717759 0.169658
C 7.015553 0.447316 -1.810908
C -6.148030 -2.153617 -1.431461
C 7.842957 0.689908 -0.709069
C -7.257366 -1.867163 -0.628934
H 1.304138 -1.766175 1.226613
H -0.241569 -0.256417 2.426212
H 1.192302 -2.191663 -1.195237
H -0.179212 -1.084977 -1.415018
H -2.382319 -1.746030 2.124900
H -0.873550 -2.499522 2.685644
H -0.756496 -3.648059 -1.228470
H -2.117009 -3.822138 0.844159
H 2.608582 2.609661 -0.127859
H -2.284411 2.926004 0.803273
H 1.491276 4.827234 -0.029667
H -0.952633 4.973457 0.457070
H 5.840930 -0.531966 1.772765
H -6.182885 1.049316 0.786988
H 5.117995 -0.342268 -2.487393
H -4.183187 -1.511546 -2.067458
H 8.069336 0.526473 1.434963
H -8.137258 -0.495230 0.791708
H 7.346260 0.716024 -2.813115
H -6.138895 -3.047175 -2.053605
H 8.820709 1.151111 -0.854802
H -8.114767 -2.541298 -0.626175


%chk=000291519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291519

0 1
S 3.758085 -1.288492 0.038483
S -3.856523 1.163199 -0.324661
O 3.375295 -2.230736 -1.240960
O 3.718522 -1.902728 1.554446
O -3.220873 1.475371 -1.796446
O -4.505147 2.370570 0.572802
N 2.770350 0.372421 -0.043022
N -2.637764 0.065416 0.755457
C 0.680529 -0.955577 0.547096
C -0.480838 -0.654616 1.547888
C 0.135882 -1.606685 -0.764737
C -1.197011 -1.965799 1.938383
C 1.477998 0.300190 0.226554
C -1.378252 0.412500 0.892910
C 0.740744 1.601930 0.200049
C -0.658923 1.659532 0.505397
C -0.824474 -2.735987 -0.448013
C -1.409667 -2.904043 0.764659
C 1.432852 2.793906 -0.138280
C -1.313050 2.920279 0.513115
C 0.765819 4.032038 -0.149851
C -0.607412 4.094954 0.187870
C 5.472457 -0.570745 -0.259811
C -5.177014 -0.165274 -0.529272
C 6.233045 -0.198619 0.859290
C -6.199142 -0.233789 0.429762
C 5.923055 -0.478673 -1.585719
C -5.091465 -1.004078 -1.650761
C 7.531381 0.311317 0.625279
C -7.196954 -1.219966 0.249904
C 7.223991 0.033882 -1.798005
C -6.098701 -1.983570 -1.812111
C 8.020150 0.430568 -0.697364
C -7.142278 -2.092558 -0.862821
H 1.344621 -1.691522 1.039995
H -0.048081 -0.188876 2.456552
H 0.997500 -1.989329 -1.342941
H -0.364810 -0.845592 -1.399613
H -2.174273 -1.727238 2.397925
H -0.596712 -2.477708 2.718519
H -1.031442 -3.445610 -1.259859
H -2.082745 -3.755065 0.931845
H 2.495230 2.721347 -0.387722
H -2.368142 2.994847 0.798520
H 1.310380 4.944930 -0.412933
H -1.130904 5.056366 0.198873
H 5.832879 -0.324105 1.870383
H -6.222873 0.469808 1.267782
H 5.289907 -0.814399 -2.413062
H -4.280352 -0.881722 -2.375598
H 8.156650 0.610095 1.472900
H -8.012882 -1.302917 0.975341
H 7.612282 0.119361 -2.818106
H -6.067089 -2.655226 -2.676185
H 9.027329 0.825030 -0.870330
H -7.919545 -2.853109 -0.994995


