%chk=000289112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289112

0 1
S -1.114988 -2.632299 0.391961
N 0.791859 1.323850 0.175415
C 0.901723 -0.932658 -0.196222
C 0.032828 0.146000 -0.014812
C 2.247854 -0.428970 -0.118924
C -1.423373 0.092470 0.001076
C 2.151935 0.985300 0.120695
C 0.477030 -2.320214 -0.441607
C -2.042782 -1.160097 0.162235
C -2.224945 1.234819 -0.146902
C 3.522513 -1.019324 -0.225753
C 3.297132 1.799034 0.254125
C -3.623406 1.128876 -0.109438
C -3.433766 -1.273574 0.199423
C -4.222906 -0.129092 0.071040
C 4.641428 -0.217004 -0.094731
C 4.527939 1.179667 0.143380
C -4.469187 2.352788 -0.247604
H 0.381031 -2.526054 -1.528650
H 1.197656 -3.058837 -0.031677
H 0.415609 2.229791 0.373013
H -1.767188 2.208274 -0.300783
H 3.609699 -2.087955 -0.407191
H 3.206075 2.864131 0.436261
H -3.908459 -2.248561 0.325299
H -5.307267 -0.215785 0.105139
H 5.636542 -0.650298 -0.172456
H 5.441523 1.765637 0.239635
H -5.475948 2.126442 -0.624333
H -4.593673 2.851472 0.725491
H -4.030389 3.087170 -0.936404


%chk=000289112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289112

0 1
S -1.125181 -2.766110 0.474105
N 0.791620 1.289089 0.147277
C 0.928902 -0.963212 -0.194488
C 0.042497 0.109984 -0.025026
C 2.273020 -0.437040 -0.121630
C -1.416472 0.047386 -0.008262
C 2.156291 0.984783 0.100194
C 0.477746 -2.365760 -0.475736
C -2.062761 -1.211316 0.194015
C -2.228249 1.204969 -0.171728
C 3.567638 -1.014310 -0.222226
C 3.284650 1.821113 0.236849
C -3.638360 1.156440 -0.100904
C -3.472131 -1.274281 0.257616
C -4.250197 -0.105210 0.123089
C 4.695711 -0.182459 -0.088672
C 4.556534 1.219328 0.139767
C -4.479480 2.411340 -0.257673
H 0.279316 -2.544064 -1.547816
H 1.203744 -3.115951 -0.120460
H 0.399361 2.197790 0.382785
H -1.746856 2.169214 -0.382503
H 3.690400 -2.089150 -0.397174
H 3.184519 2.898549 0.409532
H -3.961866 -2.242610 0.407386
H -5.343202 -0.177008 0.175798
H 5.700343 -0.613762 -0.159845
H 5.454667 1.838740 0.240324
H -5.297498 2.260364 -0.985896
H -4.948826 2.701453 0.701990
H -3.873782 3.266701 -0.603987


