%chk=000256852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256852

0 1
S 3.323234 -2.667203 0.245240
O 3.533568 0.645306 1.269221
O 0.431233 0.062489 0.628683
O 3.392019 0.782613 -1.050077
O -0.679241 -0.709148 -1.226161
N -1.782597 0.342943 0.581375
C 2.278133 -1.404595 1.068596
C 3.539033 -0.732440 1.685657
C 1.702282 -0.397995 0.082059
C 4.609400 -1.570480 0.970194
C 2.641703 0.839336 0.154895
C -0.709123 -0.167504 -0.146651
C 4.351560 1.850701 -1.209989
C -3.148240 0.315086 0.143294
C -4.108860 0.878542 1.007377
C -3.526453 -0.244669 -1.087796
C -5.450302 0.873689 0.622680
C -4.874855 -0.236937 -1.449138
C -5.838397 0.318774 -0.601359
H 1.529570 -1.806290 1.768979
H 3.612351 -0.688997 2.784604
H 1.565983 -0.777816 -0.959872
H 5.168461 -1.003362 0.208109
H 5.321594 -2.089000 1.619820
H 2.170362 1.821521 0.326443
H 4.875456 1.561253 -2.129042
H 5.035133 1.873592 -0.354729
H 3.832335 2.804525 -1.336035
H -1.582713 0.767593 1.492756
H -3.820352 1.312709 1.960968
H -2.779560 -0.682109 -1.758203
H -6.200002 1.307234 1.284798
H -5.174716 -0.670370 -2.404081
H -6.886300 0.319506 -0.892617


%chk=000256852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256852

0 1
S 3.523403 -2.707489 0.191895
O 3.384961 0.721385 1.362713
O 0.424126 0.065355 0.593476
O 3.582956 0.667801 -1.062358
O -0.713467 -0.712648 -1.332027
N -1.815421 0.307047 0.506376
C 2.326096 -1.438638 0.989290
C 3.487913 -0.700412 1.730128
C 1.716165 -0.400498 0.029055
C 4.687877 -1.471627 1.101746
C 2.686838 0.801957 0.065863
C -0.730554 -0.170327 -0.202615
C 4.496895 1.812988 -1.207462
C -3.185443 0.297391 0.116436
C -4.123685 0.851534 1.027567
C -3.630095 -0.235632 -1.121790
C -5.495437 0.872919 0.704720
C -5.007628 -0.205654 -1.428437
C -5.947404 0.343967 -0.526700
H 1.558170 -1.922352 1.609353
H 3.458266 -0.738340 2.829734
H 1.553322 -0.772947 -0.995095
H 5.255580 -0.869181 0.379391
H 5.349418 -1.980594 1.818194
H 2.175544 1.783266 0.063153
H 5.101788 1.599626 -2.101328
H 5.148172 1.916680 -0.319709
H 3.927317 2.752991 -1.356743
H -1.588511 0.712737 1.417179
H -3.780113 1.263770 1.984975
H -2.906133 -0.660982 -1.819803
H -6.209736 1.302613 1.415560
H -5.346380 -0.618517 -2.385179
H -7.013097 0.360308 -0.777557


