%chk=000269085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269085

0 1
S -3.390955 1.670579 -0.388053
O 1.705101 -2.947292 0.306494
O -3.782588 -2.298168 0.041533
O -4.382682 -0.222609 -0.210417
N -3.526378 -1.115557 -0.081426
C 0.429589 0.355166 -0.108025
C 1.889951 0.587493 -0.083113
C 0.197909 -1.058657 0.042105
C 2.545803 -0.671665 0.080852
C 1.514794 -1.768949 0.167644
C -0.614962 1.244754 -0.243925
C -1.074617 -1.573145 0.055080
C -1.930457 0.730103 -0.231763
C -2.148900 -0.655326 -0.084807
C 2.623186 1.754663 -0.188439
C 3.921034 -0.757238 0.138431
C 4.032052 1.664205 -0.129061
C 4.668104 0.437722 0.030609
C -2.795966 3.368624 -0.558819
H -0.431062 2.311558 -0.357518
H -1.276570 -2.645184 0.167614
H 2.140560 2.721380 -0.313709
H 4.420776 -1.719266 0.263576
H 4.623607 2.577294 -0.210684
H 5.756587 0.388351 0.074188
H -2.183933 3.515706 -1.452654
H -2.244281 3.714863 0.319426
H -3.686701 4.005093 -0.660738


%chk=000269085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269085

0 1
S -3.455673 1.844659 -0.406321
O 1.712993 -2.990768 0.306530
O -3.649308 -2.593214 0.078393
O -4.582885 -0.528679 -0.177859
N -3.553973 -1.311632 -0.057792
C 0.383868 0.341680 -0.107821
C 1.846412 0.597795 -0.085356
C 0.169752 -1.064996 0.040167
C 2.517644 -0.652686 0.076331
C 1.497129 -1.757207 0.162926
C -0.697692 1.217202 -0.241284
C -1.119137 -1.589629 0.054781
C -2.036688 0.717664 -0.232007
C -2.218180 -0.699774 -0.080750
C 2.585446 1.789620 -0.191616
C 3.917058 -0.732854 0.134229
C 4.001777 1.712726 -0.133522
C 4.662192 0.469255 0.027229
C -2.594254 3.522296 -0.572341
H -0.514797 2.287973 -0.352125
H -1.312988 -2.659808 0.166794
H 2.093450 2.760303 -0.316645
H 4.409403 -1.702655 0.259135
H 4.595590 2.629716 -0.214306
H 5.756062 0.440751 0.068677
H -1.962697 3.562208 -1.473083
H -2.022442 3.772347 0.334461
H -3.429062 4.232205 -0.682425


