%chk=000280420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280420

0 1
S -0.917511 2.337852 0.043456
O -0.948272 3.500190 -0.827432
O -0.729571 2.534644 1.459152
N 0.636405 0.254115 0.011600
N 0.441476 1.458023 -0.607366
C 2.926751 -0.099768 -0.974500
C 1.742976 -1.790782 0.565704
C 1.712979 -0.461991 -0.154432
C 3.854521 0.843547 -0.195273
C 1.429441 -2.945916 -0.395996
C 5.061020 1.270126 -1.042286
C 1.487965 -4.301134 0.321671
C 5.983089 2.210548 -0.270302
C 1.176792 -5.454609 -0.629125
C -2.277339 1.336292 -0.256194
C -2.517278 0.210476 0.540138
C -3.155785 1.651397 -1.300991
C -4.515547 -0.279433 -0.746448
C -3.631484 -0.594538 0.299251
C -4.270550 0.851948 -1.546221
C -5.716423 -1.128686 -0.996863
H 2.621629 0.359731 -1.936769
H 3.480597 -1.016380 -1.264282
H 2.738500 -1.929758 1.033685
H 1.015551 -1.793898 1.406137
H 3.297651 1.737954 0.145935
H 4.200564 0.344638 0.731539
H 2.137878 -2.938459 -1.246277
H 0.425603 -2.795246 -0.840743
H 4.715746 1.765882 -1.970834
H 5.627806 0.376442 -1.369656
H 0.772389 -4.310854 1.167414
H 2.489421 -4.447682 0.771808
H 6.375907 1.738525 0.637628
H 6.841904 2.512782 -0.880340
H 5.462961 3.125559 0.037372
H 1.892660 -5.500448 -1.457727
H 0.176242 -5.359087 -1.066357
H 1.216283 -6.418167 -0.108566
H 1.217424 1.944005 -1.079924
H -1.828754 -0.043063 1.354966
H -2.967998 2.533624 -1.925837
H -3.813253 -1.466670 0.923879
H -4.951436 1.104633 -2.356384
H -5.556236 -2.178596 -0.714682
H -6.575883 -0.766288 -0.410455
H -6.023808 -1.123881 -2.051876


%chk=000280420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280420

0 1
S -0.961839 2.309096 0.335732
O -0.903892 3.718981 -0.477206
O -0.812115 2.249472 1.955060
N 0.640008 0.085108 0.112418
N 0.412577 1.275021 -0.564298
C 2.884470 -0.122785 -0.990174
C 1.871824 -1.930476 0.615434
C 1.753264 -0.593760 -0.088123
C 3.870757 0.844062 -0.266147
C 1.674463 -3.140004 -0.341721
C 5.020533 1.307021 -1.189243
C 1.850213 -4.497261 0.376335
C 6.004762 2.262321 -0.481170
C 1.644673 -5.701454 -0.567716
C -2.496020 1.348853 -0.149711
C -2.972294 0.372540 0.738303
C -3.117503 1.663724 -1.368012
C -4.812833 -0.052741 -0.849653
C -4.141578 -0.328925 0.371092
C -4.286478 0.949163 -1.708561
C -6.087614 -0.790754 -1.215815
H 2.472258 0.378967 -1.889645
H 3.455937 -0.999282 -1.348060
H 2.874201 -2.008874 1.086406
H 1.117812 -1.975523 1.421493
H 3.330745 1.733349 0.120132
H 4.293264 0.335051 0.623061
H 2.393834 -3.078973 -1.184255
H 0.661305 -3.080970 -0.785903
H 4.593821 1.807784 -2.082151
H 5.566727 0.416746 -1.562077
H 1.132860 -4.558547 1.219680
H 2.863511 -4.545010 0.825322
H 6.464684 1.778512 0.400990
H 6.820412 2.574260 -1.158611
H 5.489258 3.176225 -0.131243
H 2.372282 -5.682026 -1.401070
H 0.630203 -5.690616 -1.008768
H 1.770127 -6.660545 -0.032518
H 1.205394 1.948770 -0.662280
H -2.451141 0.180674 1.680923
H -2.708320 2.446740 -2.014280
H -4.536422 -1.100800 1.041606
H -4.795904 1.173423 -2.652735
H -6.103721 -1.809408 -0.791219
H -6.975620 -0.257398 -0.824620
H -6.209881 -0.872135 -2.309809


