%chk=000234499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234499

0 1
S 3.268532 0.374641 0.143687
S -2.049527 3.093018 0.422052
O 0.585039 -3.757078 -0.715214
N -1.715582 0.398638 -0.036062
N -0.656827 -1.874116 -0.419532
N 0.251446 1.572024 0.251021
N 1.809532 -1.804625 -0.313977
C -0.663400 -0.520224 -0.173026
C 0.549759 0.220473 0.010718
C 5.890316 -0.214675 0.217962
C -1.077956 1.664233 0.221062
C -3.123407 0.121013 -0.149598
C 1.779269 -0.497465 -0.074353
C 4.558379 -0.901626 -0.036046
C 6.329312 0.691299 -0.941926
C 0.649145 -2.573109 -0.496306
C -3.986175 0.486734 0.895125
C -3.602250 -0.521704 -1.303373
C 7.709991 1.292152 -0.689609
C -5.349317 0.205394 0.771414
C -4.967262 -0.799796 -1.402234
C -5.839714 -0.437736 -0.369843
C -0.800550 4.373517 0.642193
H 5.867840 0.364883 1.164286
H 6.662954 -0.997174 0.384522
H 4.501925 -1.362115 -1.042373
H 4.374603 -1.726382 0.682221
H 6.338569 0.114316 -1.887948
H 5.591954 1.504545 -1.095580
H -1.522337 -2.404490 -0.524817
H -3.602762 0.981130 1.789618
H -2.926333 -0.782526 -2.117715
H 7.726856 1.899715 0.222514
H 8.014789 1.940871 -1.519071
H 8.477386 0.517098 -0.582635
H -6.031991 0.488190 1.573832
H -5.353178 -1.297495 -2.292842
H -6.903995 -0.655815 -0.456238
H -0.144734 4.459996 -0.236234
H -0.156211 4.172704 1.510562
H -1.317388 5.329367 0.795761


%chk=000234499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234499

0 1
S 3.263733 0.570500 0.069791
S -2.194129 3.209309 0.419867
O 0.599138 -3.710938 -0.704140
N -1.765574 0.453161 -0.033928
N -0.659715 -1.770733 -0.407786
N 0.158861 1.691052 0.218284
N 1.773590 -1.688723 -0.348467
C -0.688606 -0.420151 -0.186087
C 0.485619 0.340416 -0.027015
C 5.943183 -0.303418 0.157318
C -1.175306 1.735388 0.212456
C -3.162709 0.111795 -0.127445
C 1.728882 -0.365701 -0.122312
C 4.529966 -0.842685 -0.112067
C 6.450645 0.721822 -0.883914
C 0.619446 -2.468187 -0.497915
C -4.039298 0.425179 0.937932
C -3.638506 -0.550950 -1.285373
C 7.897026 1.180316 -0.600464
C -5.404011 0.079567 0.834547
C -5.001824 -0.908851 -1.369195
C -5.886993 -0.592094 -0.312732
C -0.787877 4.456883 0.562811
H 5.992168 0.138117 1.172985
H 6.628472 -1.176402 0.165222
H 4.417021 -1.247578 -1.130597
H 4.225817 -1.622900 0.602767
H 6.392137 0.269435 -1.894495
H 5.776824 1.601026 -0.897601
H -1.501490 -2.345112 -0.505476
H -3.654629 0.926878 1.831404
H -2.956811 -0.756611 -2.118151
H 7.972671 1.662209 0.392640
H 8.244238 1.908392 -1.356065
H 8.595894 0.322375 -0.611345
H -6.086282 0.325128 1.654947
H -5.372504 -1.421472 -2.262920
H -6.945090 -0.864787 -0.383686
H -0.189769 4.435360 -0.358135
H -0.159025 4.198434 1.425369
H -1.278487 5.432346 0.700970


