%chk=000227663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227663

0 1
S 2.605878 -0.824932 -0.814935
S -2.605895 0.825025 -0.814782
O 2.949266 -1.083456 -2.200158
O 2.123003 -1.920423 0.012194
O -2.949272 1.083648 -2.199991
O -2.123010 1.920448 0.012432
N 1.411722 0.433610 -0.836920
N -1.411751 -0.433526 -0.836842
C 0.587763 0.501315 -2.075604
C 0.567008 0.525490 0.384987
C -0.587861 -0.501234 -2.075571
C -0.566967 -0.525418 0.385016
C 3.930888 -0.067613 0.001628
C -3.930923 0.067661 0.001710
C 4.358274 -0.569608 1.235615
C -4.358156 0.569409 1.235851
C 4.579490 1.027606 -0.575559
C -4.579684 -1.027355 -0.575683
C 5.434302 0.028148 1.896759
C -5.434188 -0.028394 1.896943
C 5.656444 1.627671 0.085913
C -5.656644 -1.627468 0.085738
C 6.082073 1.127429 1.320673
C -6.082118 -1.127475 1.320652
H 1.238029 0.325932 -2.966213
H 0.208658 1.546443 -2.170041
H 0.129954 1.558510 0.424083
H 1.196445 0.420559 1.292479
H -1.238175 -0.325848 -2.966144
H -0.208763 -1.546363 -2.170026
H -0.129913 -1.558440 0.424074
H -1.196351 -0.420493 1.292543
H 3.852078 -1.434499 1.681549
H -3.851842 1.434150 1.681941
H 4.251909 1.419125 -1.543340
H -4.252227 -1.418672 -1.543587
H 5.769538 -0.362315 2.856353
H -5.769307 0.361876 2.856657
H 6.162313 2.481661 -0.362216
H -6.162638 -2.481299 -0.362552
H 6.922426 1.594297 1.836165
H -6.922474 -1.594381 1.836105


%chk=000227663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227663

0 1
S 2.663718 -0.876114 -0.812863
S -2.663777 0.876237 -0.812696
O 3.018478 -1.121732 -2.386897
O 2.219676 -2.127990 0.154452
O -3.018567 1.122011 -2.386699
O -2.219734 2.128017 0.154743
N 1.381364 0.569993 -0.807276
N -1.381400 -0.569853 -0.807274
C 0.565531 0.528293 -2.056074
C 0.558947 0.538988 0.438069
C -0.565613 -0.528041 -2.056100
C -0.558939 -0.538945 0.438045
C 4.117980 -0.024171 0.036811
C -4.118018 0.024193 0.036911
C 4.490567 -0.494415 1.305425
C -4.490569 0.494283 1.305593
C 4.782277 1.005232 -0.649665
C -4.782338 -1.005123 -0.649674
C 5.599845 0.123138 1.930670
C -5.599831 -0.123343 1.930793
C 5.886643 1.609321 -0.006722
C -5.886688 -1.609287 -0.006775
C 6.290217 1.170724 1.277896
C -6.290225 -1.170847 1.277909
H 1.248558 0.349172 -2.904739
H 0.140970 1.546187 -2.163123
H 0.102323 1.544574 0.517562
H 1.225504 0.394465 1.307044
H -1.248670 -0.348845 -2.904724
H -0.141055 -1.545926 -2.163252
H -0.102310 -1.544536 0.517441
H -1.225465 -0.394495 1.307056
H 3.941316 -1.320931 1.768436
H -3.941305 1.320742 1.768689
H 4.455273 1.319546 -1.645205
H -4.455365 -1.319314 -1.645263
H 5.922361 -0.217161 2.920074
H -5.922318 0.216835 2.920248
H 6.429032 2.417449 -0.508154
H -6.429096 -2.417350 -0.508291
H 7.148056 1.643956 1.767755
H -7.148052 -1.644136 1.767734


