%chk=000083356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000083356

0 1
S 2.645104 -0.461749 1.735836
S 3.216271 0.877934 0.266802
O 2.143399 2.092878 0.612787
O 4.516272 1.380855 0.517866
O 2.806920 0.328005 -0.995240
N -2.588887 -0.149143 -2.021386
N 0.323291 -2.868290 1.212996
N 0.894587 -1.887092 -0.952616
C -2.137132 -1.045480 0.034161
C -1.741428 0.344428 0.049335
C -2.027681 -1.992445 1.171033
C -2.042293 0.883384 -1.248546
C -2.654409 -1.314909 -1.226004
C -1.078858 -3.179028 0.899056
C -1.185148 1.190361 1.027436
C -1.786886 2.233079 -1.574757
C -0.945551 2.515095 0.706042
C -1.243799 3.029814 -0.584734
C 1.130299 -2.261562 0.394060
C 2.548770 -2.060824 0.875666
H -1.689703 -1.460293 2.088105
H -3.035489 -2.387842 1.422603
H -3.059600 -2.233654 -1.611193
H -1.345815 -4.018355 1.587796
H -1.220000 -3.565693 -0.133262
H -2.922542 -0.069309 -2.961645
H -0.955258 0.796620 2.017411
H -2.018639 2.622081 -2.560650
H -0.534763 3.192552 1.454722
H -1.040869 4.082553 -0.783591
H 2.818633 -2.837825 1.634040
H 3.290544 -2.159256 0.058509
H -0.065462 -1.677278 -1.202243
H 1.546312 -1.227050 -1.381338
H 1.294808 2.096237 0.109941


%chk=000083356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083356

0 1
S 2.518020 -0.077114 1.883613
S 3.339349 1.015618 -0.263843
O 2.154567 2.410878 -0.468654
O 4.777118 1.732357 -0.264630
O 3.057801 -0.112718 -1.416127
N -2.629995 0.020693 -1.999608
N 0.167177 -2.764032 1.416508
N 0.878371 -1.811398 -0.707435
C -2.284980 -1.101752 -0.028411
C -1.763239 0.250466 0.102418
C -2.285105 -2.195061 1.010622
C -1.993568 0.931807 -1.147268
C -2.806547 -1.195262 -1.326212
C -1.122586 -3.243961 0.887528
C -1.114116 0.947124 1.154037
C -1.600400 2.268294 -1.369697
C -0.721687 2.285628 0.944449
C -0.962953 2.940923 -0.304173
C 1.035611 -2.163348 0.621040
C 2.388777 -1.833866 1.213785
H -2.236129 -1.762250 2.026452
H -3.233820 -2.762759 0.949539
H -3.309783 -2.033264 -1.806791
H -1.412191 -4.114182 1.505446
H -1.069526 -3.592739 -0.170676
H -2.937227 0.218157 -2.949781
H -0.897599 0.449433 2.104496
H -1.773564 2.771839 -2.326675
H -0.239862 2.842554 1.754658
H -0.647996 3.981483 -0.435284
H 2.565915 -2.479608 2.091775
H 3.203981 -1.980057 0.482760
H -0.039477 -1.874890 -1.149283
H 1.624098 -1.270890 -1.175984
H 1.226562 2.110700 -0.199598


