%chk=000238597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238597

0 1
S 0.013175 2.188229 -0.019264
O 0.023403 2.883378 -1.290856
O 0.035466 2.916895 1.232990
O -5.147325 -1.873337 -1.170785
O -5.272466 -1.990159 1.060312
O 5.104969 -1.980942 -1.073104
O 5.117903 -1.950960 1.091536
N 4.680561 -1.609053 0.006891
C -1.359390 1.107318 0.001001
C 1.376114 1.080364 -0.011328
C -1.901877 0.700828 1.221945
C -1.920392 0.680066 -1.203940
C 1.914943 0.643017 -1.222457
C 1.924346 0.671212 1.205374
C -2.999009 -0.165580 1.242899
C -3.018471 -0.186560 -1.194089
C -3.549034 -0.610296 0.031380
C 2.999612 -0.240122 -1.225886
C 3.009152 -0.211738 1.220856
C 3.528648 -0.661361 0.000516
C -4.712501 -1.535381 0.090680
H -1.484568 1.070317 2.165907
H -1.517203 1.033227 -2.160215
H 1.505144 1.001126 -2.175125
H 1.522030 1.051272 2.152719
H -3.434008 -0.494158 2.192156
H -3.467860 -0.530353 -2.130939
H 3.436387 -0.596513 -2.165708
H 3.453234 -0.546211 2.165345
H -5.930482 -2.491324 -1.146711


%chk=000238597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238597

0 1
S 0.016762 2.156865 -0.016064
O 0.031130 2.906468 -1.468396
O 0.036130 2.934638 1.421141
O -5.425570 -1.832817 -1.200003
O -5.508329 -1.890424 1.121654
O 5.416869 -1.886350 -1.126538
O 5.425088 -1.858546 1.154222
N 4.937781 -1.515563 0.011268
C -1.499379 1.003957 -0.003163
C 1.522927 0.985299 -0.007231
C -2.036871 0.641285 1.242108
C -2.044412 0.625988 -1.239964
C 2.059090 0.596643 -1.245151
C 2.066467 0.625228 1.236077
C -3.179168 -0.186133 1.241665
C -3.187987 -0.201586 -1.225433
C -3.746897 -0.612396 0.012508
C 3.196391 -0.238023 -1.239222
C 3.203949 -0.209261 1.242556
C 3.738888 -0.630131 0.004750
C -4.954191 -1.488201 0.072666
H -1.594993 1.017367 2.170421
H -1.607211 0.991006 -2.174920
H 1.617766 0.960709 -2.178450
H 1.630519 1.010535 2.163370
H -3.646958 -0.505368 2.178195
H -3.655042 -0.526577 -2.158320
H 3.666405 -0.579756 -2.164731
H 3.679569 -0.529438 2.172896
H -6.228221 -2.412221 -1.105812


