%chk=000186018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186018

0 1
S 3.156109 1.420535 -1.424355
S 4.633571 3.620514 0.730936
P 3.912215 1.889582 0.466583
O 2.703891 1.397551 1.499176
O 4.858803 0.539603 0.601790
O -0.813456 0.418959 1.763533
O 0.422893 -0.589049 -2.042184
N -1.649108 -0.218280 -0.328054
N 0.717068 -0.131134 0.184347
C -3.058282 -0.105749 -0.078411
C -5.295773 -0.285642 -0.997341
C -3.909070 -0.370958 -1.170102
C -3.581702 0.241268 1.175578
C -5.825447 0.059818 0.258561
C -4.968266 0.319456 1.328266
C 2.686040 -0.331373 -1.286670
C -6.210335 -0.577750 -2.142262
C -0.656882 0.049702 0.611594
C 1.187947 -0.363990 -1.120374
C 1.889433 2.416475 2.133424
C 5.684844 0.447200 1.790237
H -3.499688 -0.639628 -2.141000
H -2.922351 0.448293 2.022607
H -6.901442 0.124190 0.395958
H -1.366747 -0.496816 -1.292492
H 3.239419 -0.892373 -0.503118
H 2.972906 -0.821195 -2.248625
H -5.382132 0.588089 2.301077
H -6.488150 -1.642723 -2.153508
H -7.143349 -0.000613 -2.087909
H -5.751577 -0.353301 -3.114641
H 1.399922 0.045577 0.954710
H 2.462975 2.926084 2.916647
H 1.471826 3.124913 1.409435
H 1.073736 1.813628 2.576344
H 5.065912 0.370567 2.692296
H 6.225007 -0.496512 1.618907
H 6.398841 1.279179 1.848738


%chk=000186018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186018

0 1
S 3.338945 1.778236 -1.613865
S 5.308821 3.455991 1.081421
P 4.138149 1.864093 0.523760
O 2.697197 1.586195 1.491902
O 4.760804 0.245448 0.597599
O -0.776555 1.055656 1.633476
O 0.242806 -0.460118 -2.193601
N -1.646277 0.071305 -0.342746
N 0.677444 0.448423 -0.074516
C -3.043269 0.030806 -0.073701
C -5.270745 -0.605648 -0.929269
C -3.870665 -0.513691 -1.093114
C -3.622596 0.499295 1.134078
C -5.843584 -0.132151 0.280619
C -5.022197 0.409902 1.292801
C 2.555631 0.032041 -1.624443
C -6.139747 -1.219494 -2.014110
C -0.649822 0.549686 0.476970
C 1.059341 -0.002145 -1.324549
C 2.139052 2.652671 2.367526
C 5.318894 -0.219574 1.893018
H -3.411257 -0.869343 -2.024930
H -2.985723 0.920134 1.913850
H -6.929122 -0.188625 0.424204
H -1.312449 -0.288738 -1.259243
H 3.139255 -0.581113 -0.917178
H 2.714797 -0.337062 -2.648696
H -5.475304 0.774216 2.221875
H -6.322675 -2.293510 -1.815684
H -7.125589 -0.724433 -2.067429
H -5.665318 -1.144249 -3.008154
H 1.410515 0.812709 0.572976
H 2.745237 2.727841 3.284673
H 2.119788 3.624684 1.844486
H 1.114087 2.310527 2.582324
H 4.527561 -0.257867 2.661682
H 5.700301 -1.228853 1.680829
H 6.143872 0.440853 2.214857


