%chk=000194544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194544

0 1
S -0.206802 -1.146922 -0.401927
O 1.277852 0.634438 1.714049
O 0.697321 1.801733 -0.110022
O 5.048714 -0.096579 -0.392808
N 3.121806 -0.814111 0.585324
C 2.273878 -0.075975 -0.364669
C 1.415843 -1.025078 -1.208754
C -1.282360 -0.088108 -1.436590
C -2.470285 0.183279 -0.575097
C -3.590724 -0.674898 -0.552655
C -2.459904 1.332471 0.233999
C 1.322984 0.883298 0.367251
C -4.677831 -0.359669 0.279211
C -3.645862 -1.907729 -1.395904
C -3.546188 1.634378 1.055225
C -4.657322 0.785290 1.077108
C 4.522451 -0.718650 0.512691
C 5.260313 -1.453111 1.591681
H 2.942936 0.547437 -1.039429
H 1.334422 -0.673084 -2.252664
H 1.861555 -2.039668 -1.261631
H -1.537370 -0.602408 -2.379943
H -0.749355 0.850468 -1.706034
H 2.644104 -1.250304 1.372480
H -1.587678 1.993936 0.214967
H -5.546250 -1.015466 0.302647
H -2.802440 -2.580621 -1.176500
H -4.563887 -2.488155 -1.236409
H -3.603389 -1.664179 -2.466653
H -3.529587 2.528713 1.674055
H -5.507674 1.017206 1.716018
H 6.348009 -1.370657 1.424841
H 5.057367 -1.040369 2.589780
H 5.019054 -2.524340 1.615373
H 0.623899 1.219032 2.186989


%chk=000194544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194544

0 1
S -0.071764 -1.061728 -0.315506
O 2.747485 1.974675 0.819001
O 1.366097 2.153334 -1.033093
O 5.171771 -0.933216 -0.182479
N 2.982946 -0.713825 0.561161
C 2.556526 0.019401 -0.626907
C 1.447911 -0.717504 -1.406408
C -1.317259 0.223115 -1.043983
C -2.609702 0.166788 -0.268947
C -3.613508 -0.807676 -0.564205
C -2.826794 1.097904 0.779005
C 2.135869 1.464783 -0.324630
C -4.804357 -0.808775 0.204520
C -3.425716 -1.821703 -1.680058
C -4.018466 1.085301 1.534951
C -5.013156 0.124640 1.244907
C 4.296876 -1.135706 0.715113
C 4.610947 -1.848526 2.023332
H 3.469121 0.081851 -1.263223
H 1.114773 -0.119629 -2.269593
H 1.824460 -1.692716 -1.751827
H -1.446629 -0.055450 -2.102388
H -0.827390 1.206075 -0.978365
H 2.290042 -0.868936 1.296695
H -2.048548 1.839109 0.997645
H -5.578193 -1.553508 -0.017914
H -2.464633 -2.359094 -1.578969
H -4.239519 -2.566448 -1.677401
H -3.424084 -1.334869 -2.675183
H -4.169857 1.814260 2.338635
H -5.943615 0.100793 1.823420
H 5.123055 -2.799824 1.802220
H 5.310359 -1.227995 2.610674
H 3.716817 -2.052776 2.636716
H 2.485736 2.929475 0.929085


