%chk=000262316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262316

0 1
S -0.982283 1.777349 1.341134
O -1.846821 2.980546 1.328514
O 0.726542 -2.690826 -0.033801
O -5.844047 -1.715698 -0.642702
O -5.938209 0.157619 0.435033
N 0.367273 -0.431531 -0.163780
N -5.326999 -0.749991 -0.103154
C -1.070111 -0.554033 -0.132579
C 0.894842 0.886485 -0.458285
C -1.822449 0.471907 0.465320
C 0.312269 2.007956 0.144464
C -1.724209 -1.670671 -0.691578
C -3.210190 0.430837 0.468184
C 1.215390 -1.583637 0.011456
C 1.948286 1.047430 -1.374172
C 0.765371 3.290014 -0.156851
C -3.854330 -0.679963 -0.101382
C -3.112722 -1.732565 -0.671387
C 2.659536 -1.326749 0.284140
C 2.413729 2.335475 -1.652647
C 1.828999 3.455142 -1.049941
C 3.063628 -0.478098 1.323599
C 3.611199 -2.023457 -0.476173
C 4.425715 -0.316345 1.591584
C 4.970633 -1.850512 -0.206490
C 5.377612 -0.997882 0.825880
H -1.144162 -2.491534 -1.128728
H -3.803634 1.251820 0.903146
H 2.395499 0.187780 -1.870671
H 0.279559 4.162489 0.294627
H -3.640620 -2.592772 -1.103081
H 3.236011 2.466677 -2.358186
H 2.192745 4.454565 -1.284973
H 2.322300 0.051968 1.922455
H 3.287748 -2.704144 -1.266009
H 4.745002 0.341407 2.399886
H 5.713897 -2.387107 -0.796080
H 6.439700 -0.868052 1.036826


%chk=000262316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262316

0 1
S -0.838142 1.674294 1.610431
O -1.845106 2.994962 1.732237
O 0.895981 -2.731156 -0.462338
O -5.886504 -1.637582 -0.715271
O -5.919954 0.274209 0.531360
N 0.436747 -0.441886 -0.185056
N -5.300432 -0.671068 -0.090383
C -0.999115 -0.604639 -0.129637
C 0.910138 0.898191 -0.488649
C -1.754391 0.368209 0.572633
C 0.353973 2.009656 0.176503
C -1.704483 -1.636594 -0.805027
C -3.149697 0.389986 0.597210
C 1.317890 -1.573164 -0.182692
C 1.824696 1.139386 -1.543017
C 0.656354 3.334885 -0.162950
C -3.816855 -0.646413 -0.089735
C -3.111270 -1.662194 -0.769995
C 2.742772 -1.344892 0.229398
C 2.176750 2.465999 -1.872975
C 1.590119 3.564498 -1.199546
C 3.121660 -0.382855 1.202328
C 3.722660 -2.220595 -0.307652
C 4.466882 -0.288948 1.615800
C 5.069279 -2.112454 0.094367
C 5.445169 -1.143970 1.055501
H -1.146755 -2.403972 -1.341135
H -3.695744 1.182079 1.121281
H 2.245513 0.297829 -2.101659
H 0.151395 4.152561 0.364060
H -3.672731 -2.447043 -1.283303
H 2.892882 2.642376 -2.682296
H 1.851361 4.588393 -1.484782
H 2.370121 0.272094 1.653973
H 3.408194 -2.986038 -1.024639
H 4.751393 0.446007 2.376147
H 5.821712 -2.784820 -0.331072
H 6.490234 -1.063430 1.374177


