%chk=000255238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255238

0 1
S 5.571108 -0.494065 -0.527309
O 4.273489 -0.226839 0.514415
O -1.264530 -0.251705 -0.011970
O 6.233730 0.766410 -0.721538
O 5.044866 -1.210171 -1.659745
O -1.951388 1.811943 -0.633001
N 0.904577 2.349650 0.042265
C 0.741767 0.997376 0.656500
C 2.121970 0.491241 1.119914
C 0.112844 0.051378 -0.386329
C 3.174297 0.574667 0.014620
C -2.232240 0.708295 -0.217214
C -3.569066 0.186067 0.148724
C 6.487813 -1.537127 0.515116
C -4.673411 1.043690 0.011240
C -3.743830 -1.125127 0.616411
C -5.949419 0.585968 0.344883
C -5.023722 -1.575408 0.948350
C -6.123988 -0.721531 0.812854
H 0.062431 1.010837 1.553561
H 2.047719 -0.554775 1.481530
H 2.465295 1.075764 1.996898
H 0.125948 0.463691 -1.412032
H 0.553792 -0.962542 -0.379450
H 2.823353 0.144426 -0.940980
H 3.536819 1.608155 -0.143886
H 0.031918 2.649945 -0.403189
H 1.138205 3.040389 0.748357
H 7.491462 -1.146202 0.746246
H 6.002098 -1.694476 1.494011
H 6.639054 -2.544803 0.097006
H -4.523443 2.062276 -0.357605
H -2.877458 -1.784233 0.716338
H -6.808683 1.247223 0.239376
H -5.164324 -2.592617 1.311521
H -7.121956 -1.076368 1.072112


%chk=000255238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255238

0 1
S 5.734756 -0.026679 -0.889474
O 4.454944 -0.327796 0.458624
O -1.424600 -0.506838 0.433263
O 5.965276 1.565376 -1.085036
O 5.391599 -0.949127 -2.178855
O -1.766108 1.359767 -0.927374
N 0.717063 1.842427 0.716838
C 0.780959 0.445347 1.161426
C 2.260574 -0.020741 1.357784
C 0.044529 -0.460117 0.157350
C 3.075521 0.038665 0.060284
C -2.232887 0.434993 -0.209875
C -3.681064 0.212409 0.056508
C 7.152808 -0.789000 0.140029
C -4.610935 1.093866 -0.556004
C -4.143299 -0.835911 0.895408
C -5.992772 0.926963 -0.332937
C -5.527207 -0.995558 1.118456
C -6.453081 -0.116839 0.505585
H 0.283440 0.283079 2.147017
H 2.276183 -1.048484 1.770492
H 2.735948 0.644150 2.102385
H 0.203039 -0.117007 -0.881164
H 0.359947 -1.508971 0.271414
H 2.709197 -0.683031 -0.694306
H 3.038080 1.064183 -0.351157
H -0.012934 2.066440 0.034502
H 0.878928 2.553438 1.430504
H 7.996898 -0.094768 0.036005
H 6.766907 -0.847153 1.165558
H 7.344659 -1.774468 -0.303381
H -4.230068 1.895306 -1.197641
H -3.416653 -1.509893 1.357067
H -6.709506 1.605558 -0.807743
H -5.885672 -1.802901 1.766281
H -7.527368 -0.245284 0.680164


