%chk=000270969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270969

0 1
S 2.306145 0.952239 -0.062237
O -4.579648 -0.408287 -0.912149
N -2.592835 0.029356 0.285798
N -0.914907 1.601280 0.062922
N -1.156557 -2.027604 0.317158
N 1.224427 -1.496213 0.152864
C -1.381996 -0.680097 0.245907
C -0.340616 0.317677 0.121239
C -2.240217 1.426059 0.149251
C 0.982839 -0.165570 0.080824
C -3.941118 -0.566764 0.343967
C 3.788965 -0.107938 -0.070899
C -3.276822 2.473783 0.117755
C 4.978390 0.835846 -0.194946
C 0.159515 -2.363488 0.265877
C 6.290895 0.052543 -0.212741
H -3.866240 -1.642253 0.622608
H -4.594625 0.007659 1.038698
H 3.739037 -0.829558 -0.909083
H 3.831611 -0.714427 0.854392
H 4.901055 1.444914 -1.120317
H 4.993832 1.560211 0.646669
H -3.696043 2.666325 1.117928
H -2.857930 3.431359 -0.243464
H -4.111204 2.205861 -0.554630
H 0.408046 -3.436077 0.318848
H 6.334762 -0.646578 -1.056212
H 7.150202 0.727529 -0.301877
H 6.427202 -0.531673 0.705006
H -4.144966 -0.946913 -1.612853


%chk=000270969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270969

0 1
S 2.315496 1.162537 -0.044043
O -4.563952 -0.652969 -0.992652
N -2.605075 0.062262 0.271993
N -0.993994 1.689634 0.090383
N -1.154991 -1.946353 0.276876
N 1.222487 -1.366136 0.127977
C -1.375710 -0.605948 0.233445
C -0.387124 0.419987 0.128923
C -2.317534 1.447304 0.172585
C 0.960352 -0.024085 0.080279
C -3.917733 -0.589228 0.311090
C 3.805232 -0.020871 -0.070983
C -3.392574 2.485946 0.157397
C 5.093674 0.808452 -0.196605
C 0.177462 -2.246070 0.220319
C 6.340204 -0.106416 -0.214911
H -3.762641 -1.592314 0.748951
H -4.603584 0.004649 0.932366
H 3.662648 -0.707483 -0.920607
H 3.773760 -0.609394 0.859807
H 5.061873 1.413333 -1.123345
H 5.167064 1.519701 0.648764
H -3.909551 2.556604 1.133415
H -2.934611 3.462201 -0.059759
H -4.154154 2.261504 -0.610803
H 0.442351 -3.306597 0.249549
H 6.305494 -0.811666 -1.065997
H 7.264184 0.492245 -0.307930
H 6.412730 -0.700689 0.714854
H -4.110584 -1.330939 -1.555035


