%chk=000238847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238847

0 1
S 3.479518 1.561864 -1.572004
S -4.235129 1.334627 -1.833399
S -6.883832 -0.053303 -1.638900
O -2.576689 -1.048433 0.682571
N 3.486697 0.269985 1.167069
N -4.625247 -0.713385 -0.319478
C 2.201162 0.513268 0.630262
C 2.065043 1.071758 -0.665326
C 4.589779 -0.085129 0.329693
C 4.681676 0.438990 -0.975740
C -0.355325 1.044296 -0.481462
C 0.820405 1.323146 -1.217347
C 1.025455 0.248591 1.365609
C -0.225919 0.515466 0.814503
C 3.601729 -0.006902 2.620827
C 5.611555 -0.942365 0.786453
C -1.637254 1.351202 -1.105094
C 5.753168 0.124292 -1.808209
C -2.831253 0.762168 -0.926472
C 6.694759 -1.236589 -0.045077
C -3.224226 -0.387339 -0.093282
C 6.772567 -0.709903 -1.337405
C -5.255509 -1.833077 0.438170
C -5.334403 0.078807 -1.200475
C -6.002172 -1.331400 1.644532
C -6.046418 -2.005565 2.790654
H 0.742733 1.736903 -2.226705
H 1.073975 -0.185379 2.362205
H -1.120641 0.299968 1.410063
H 3.367611 -1.055245 2.872105
H 2.921801 0.655508 3.187228
H 4.624914 0.225017 2.968544
H 5.569124 -1.389293 1.776382
H -1.577035 2.180895 -1.835347
H 5.803231 0.527554 -2.821793
H 7.485188 -1.893162 0.320520
H 7.618666 -0.950044 -1.977619
H -4.444524 -2.548589 0.724498
H -5.957728 -2.384685 -0.236453
H -6.529743 -0.384516 1.506669
H -6.605407 -1.664988 3.651645
H -5.535401 -2.941715 2.965482


%chk=000238847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238847

0 1
S 3.451534 1.997079 -1.197820
S -4.206725 0.810818 -2.263375
S -7.123385 -0.141973 -1.848965
O -2.950671 -1.254653 0.884240
N 3.560891 -0.008714 1.164072
N -4.925589 -0.788121 -0.303261
C 2.277714 0.144505 0.591045
C 2.074976 0.965398 -0.560653
C 4.749364 0.033434 0.366462
C 4.830894 0.861046 -0.787605
C -0.341902 0.435481 -0.586794
C 0.809888 1.087453 -1.141518
C 1.136316 -0.513835 1.136919
C -0.141284 -0.367215 0.577996
C 3.663002 -0.535287 2.537376
C 5.878023 -0.762782 0.700222
C -1.602955 0.662647 -1.276661
C 5.993603 0.886672 -1.581661
C -2.905654 0.232204 -1.086802
C 7.055944 -0.709946 -0.076444
C -3.516068 -0.651102 -0.076049
C 7.120435 0.112268 -1.221425
C -5.735301 -1.615701 0.634382
C -5.502139 -0.122603 -1.379639
C -6.364359 -0.777300 1.731670
C -6.072990 -0.922795 3.046908
H 0.694768 1.717456 -2.031864
H 1.253588 -1.170005 2.003619
H -0.996888 -0.884598 1.019657
H 3.614666 -1.642522 2.584271
H 2.844789 -0.120759 3.147475
H 4.616158 -0.204193 2.979603
H 5.837270 -1.437925 1.559493
H -1.485281 1.328188 -2.146604
H 6.020683 1.523348 -2.472306
H 7.915316 -1.325295 0.210104
H 8.028419 0.150926 -1.831223
H -5.051443 -2.368322 1.059922
H -6.516152 -2.108694 0.027175
H -7.104632 -0.036628 1.400153
H -6.567523 -0.313426 3.811714
H -5.330400 -1.651230 3.394287


