%chk=000295739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295739

0 1
S -4.379039 -1.296624 -1.508058
P 2.002981 0.508413 0.365020
O 1.184538 1.933587 0.233794
O 3.538277 1.016113 0.508071
O 2.004977 -0.027680 -1.183241
O 1.525311 -0.388474 1.441763
N -2.568299 -0.839889 0.429709
N -2.695335 0.726284 -1.427227
N -1.096004 -0.512979 2.235151
C -0.076622 2.028107 0.951507
C -1.110071 1.123393 0.372223
C -1.557483 -0.075662 1.006526
C 4.019672 1.899208 -0.564836
C 1.026489 -1.029634 -1.573369
C -1.715043 1.463967 -0.853203
C 5.431316 2.231517 -0.125168
C 1.320406 -2.377068 -0.945230
C -3.090758 -0.393011 -0.734801
C -4.698781 -2.657393 -0.373972
H 0.097948 1.867748 2.033443
H -0.324189 3.100378 0.789346
H 3.995316 1.340413 -1.521189
H 3.370454 2.795074 -0.612732
H 0.006595 -0.663110 -1.352683
H 1.178298 -1.040425 -2.673905
H -1.398191 2.361825 -1.403865
H 6.030778 1.318214 0.000523
H 5.434589 2.739133 0.849768
H 5.938289 2.877136 -0.850462
H 2.375021 -2.659280 -1.069608
H 1.114387 -2.396454 0.137707
H 0.711603 -3.166631 -1.402659
H -0.121310 -0.302068 2.488328
H -1.397685 -1.433998 2.539090
H -5.516769 -3.257964 -0.791309
H -4.993325 -2.300395 0.622779
H -3.817141 -3.298471 -0.240729


%chk=000295739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295739

0 1
S -5.424925 -0.754514 -0.846455
P 2.328684 0.307922 0.370122
O 1.085687 1.236023 -0.399261
O 3.665262 1.310751 0.704024
O 2.923990 -0.594545 -0.960352
O 1.810199 -0.427901 1.685331
N -2.989560 -0.767738 0.418318
N -3.499896 1.092848 -1.076704
N -0.964973 -0.946271 1.560545
C -0.078799 1.737443 0.456100
C -1.356503 1.036104 0.126600
C -1.753497 -0.225321 0.706395
C 4.374088 2.024870 -0.413209
C 1.989905 -1.435025 -1.781471
C -2.284748 1.623581 -0.762861
C 5.417552 2.906347 0.262909
C 1.623007 -2.741028 -1.074565
C -3.784429 -0.088666 -0.441018
C -5.432728 -2.322018 0.191066
H 0.199336 1.628583 1.521532
H -0.136420 2.805684 0.192933
H 4.825677 1.265625 -1.075045
H 3.633082 2.616471 -0.983245
H 1.099384 -0.829835 -2.032084
H 2.577795 -1.615049 -2.696155
H -2.046207 2.581431 -1.242963
H 6.117724 2.294103 0.855396
H 4.938567 3.639260 0.933444
H 5.994228 3.455074 -0.504786
H 2.530386 -3.295473 -0.781342
H 1.016095 -2.556659 -0.171161
H 1.031674 -3.375549 -1.761099
H 0.032004 -0.728864 1.743357
H -1.370117 -1.802790 1.938242
H -6.410152 -2.793769 0.003334
H -5.318363 -2.066134 1.253553
H -4.611811 -2.981670 -0.122922


